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Chemical ID: 4179009

Chemical ID:

4179009

Name [?]:

N-ethyl-N',N'-dimethyl-N-(4-methylcyclohexyl)-ethane-1,2-diamine

SMILES [?]:

CCN(CCN(C)C)C1CCC(CC1)C

InChi [?]:

InChI=1/C13H28N2/c1-5-15(11-10-14(3)4)13-8-6-12(2)7-9-13/h12-13H,5-11H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,15,7,8,2,11,13,10,14,5,4,12,9,6,3/E:(3,4)(6,7)(8,9)/rA:15cCCNCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s6;s3;s9;s10;s11;s12;s9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₈N₂
All Atoms:	15
Heavy Atoms:	15
Chiral Atoms:	1

ZAP Information [?]

Total:	9.41963
Area:	422.39
Solvation:	-1.14013
Coulombic:	-11.4113

Bond Count [?]

All:	15
Single:	15
Double:	0
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	212.375
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.67
LogP (Chemaxon):	2.39

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