2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine

C16H32N2 — CID 62614437

IUPAC2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N(C)CC2CCCCC2N)CC1
InChIInChI=1S/C16H32N2/c1-3-13-8-10-15(11-9-13)18(2)12-14-6-4-5-7-16(14)17/h13-16H,3-12,17H2,1-2H3
InChIKeyCYARKKCCNCSHRO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds4

About 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine

2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine (PubChem CID 62614437) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
PubChem CID62614437
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
SMILESCCC1CCC(N(C)CC2CCCCC2N)CC1
InChIInChI=1S/C16H32N2/c1-3-13-8-10-15(11-9-13)18(2)12-14-6-4-5-7-16(14)17/h13-16H,3-12,17H2,1-2H3
InChIKeyCYARKKCCNCSHRO-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 63493764
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
2-[[methyl-(2-methylcyclohexyl)amino]methyl]cycloheptan-1-amine
CID 62609656
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
2-(diethylaminomethyl)cycloheptan-1-amine
CID 62616063

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine (CID 62614437) is 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine is CCC1CCC(N(C)CC2CCCCC2N)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is CYARKKCCNCSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-13-8-10-15(11-9-13)18(2)12-14-6-4-5-7-16(14)17/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine?
2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62614437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).