ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 4506470

Chemical ID:

4506470

Name [?]:

N,1-dimethyl-N-(4-methylcyclohexyl)-piperidin-4-amine

SMILES [?]:

CC1CCC(CC1)N(C)C2CCN(CC2)C

InChi [?]:

InChI=1/C14H28N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14/h12-14H,4-11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,9,3,7,4,6,11,15,12,14,2,5,10,13,8/E:(4,5)(6,7)(8,9)(10,11)/rA:16cCCCCCCCNCCCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s8;s10;s11;s12;s13;s10s14;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₈N₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	1

ZAP Information [?]

Total:	8.96922
Area:	411.65
Solvation:	-1.32204
Coulombic:	-10.7732

Bond Count [?]

All:	17
Single:	17
Double:	0
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	224.386
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.79
LogP (Chemaxon):	2.05

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