2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol

C14H27NO — CID 64929988

IUPAC2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(NCC2CCCCC2O)C1
InChIInChI=1S/C14H27NO/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16/h11-16H,2-10H2,1H3
InChIKeyXNFNQXWHXKVTEB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.71
Rot. Bonds3

About 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol

2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 64929988) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID64929988
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCCC(NCC2CCCCC2O)C1
InChIInChI=1S/C14H27NO/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16/h11-16H,2-10H2,1H3
InChIKeyXNFNQXWHXKVTEB-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
2-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929467
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
CID 130951867
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
3-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106636915
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentan-1-ol
CID 112553163
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
[2-[[(3-methylcyclobutyl)amino]methyl]cyclohexyl]methanol
CID 103562043

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 64929988) is 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol is CC1CCCC(NCC2CCCCC2O)C1.
What is the InChIKey of 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XNFNQXWHXKVTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-5-4-7-13(9-11)15-10-12-6-2-3-8-14(12)16/h11-16H,2-10H2,1H3.
What are the key properties of 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol?
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).