[2-(4-methylcyclohexyl)cyclohexyl]methanamine

C14H27N — CID 81010575

IUPAC[2-(4-methylcyclohexyl)cyclohexyl]methanamine
SMILESCC1CCC(C2CCCCC2CN)CC1
InChIInChI=1S/C14H27N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h11-14H,2-10,15H2,1H3
InChIKeyXJJDADIAMDWQMW-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.58
Rot. Bonds2

About [2-(4-methylcyclohexyl)cyclohexyl]methanamine

[2-(4-methylcyclohexyl)cyclohexyl]methanamine (PubChem CID 81010575) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)cyclohexyl]methanamine
PubChem CID81010575
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name[2-(4-methylcyclohexyl)cyclohexyl]methanamine
SMILESCC1CCC(C2CCCCC2CN)CC1
InChIInChI=1S/C14H27N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h11-14H,2-10,15H2,1H3
InChIKeyXJJDADIAMDWQMW-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-methylcyclohexyl)cyclopentyl]methanamine
CID 81011106
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ylmethanamine
CID 22484494
1,2,3,3a,4,5,6,6a-octahydropentalen-1-ylmethanamine;hydrochloride
CID 170922777
(2-methylcyclodecyl)methanamine
CID 163635360
(1R,4aS,8aR)-1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97184727
[(1R,6S)-6-methyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 166698181
[2-(3-methylsulfonylcyclohexyl)cyclohexyl]methanamine
CID 81010799
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
3-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 140574034
(1R,4aR,8aR)-1-[[(1S,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 97107678
[(1S,2R)-2-ethylcyclohexyl]methanamine
CID 124508805
(2R,4aS,4bS,8aR,10aR)-2-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 97102805

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylcyclohexyl)cyclohexyl]methanamine?
The IUPAC name of [2-(4-methylcyclohexyl)cyclohexyl]methanamine (CID 81010575) is [2-(4-methylcyclohexyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-(4-methylcyclohexyl)cyclohexyl]methanamine?
The canonical SMILES for [2-(4-methylcyclohexyl)cyclohexyl]methanamine is CC1CCC(C2CCCCC2CN)CC1.
What is the InChIKey of [2-(4-methylcyclohexyl)cyclohexyl]methanamine?
The InChIKey is XJJDADIAMDWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h11-14H,2-10,15H2,1H3.
What are the key properties of [2-(4-methylcyclohexyl)cyclohexyl]methanamine?
[2-(4-methylcyclohexyl)cyclohexyl]methanamine has a molecular weight of 209.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)cyclohexyl]methanamine is sourced from PubChem (CID 81010575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).