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Chemical ID: 7121351

Chemical ID:

7121351

Name [?]:

1,4-dicyclohexyl-2,3,5,6-tetrahydropyrazine

SMILES [?]:

C1CCC(CC1)[NH+]2CC[NH+](CC2)C3CCCCC3

InChi [?]:

InChI=1/C16H30N2/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h15-16H,1-14H2/p+2

InChi Info:

AuxInfo=1/1/N:1,16,2,6,15,17,3,5,14,18,8,12,9,11,4,13,7,10/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)/rA:18nCCCCCCN+CCN+CCCCCCCC/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₃₂N₂₊₂
All Atoms:	50
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	-89.9068
Area:	440.638
Solvation:	-100.923
Coulombic:	108.804

Bond Count [?]

All:	20
Single:	20
Double:	0
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	252.439
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.36
LogP (Chemaxon):	3.13

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value