[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol

C16H25NO — CID 79852336

IUPAC[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
SMILESCC1(C)CCCCC1(CO)NCc1ccccc1
InChIInChI=1S/C16H25NO/c1-15(2)10-6-7-11-16(15,13-18)17-12-14-8-4-3-5-9-14/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3
InChIKeyIVGYQMCTEVFDKS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.11
Rot. Bonds4

About [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol

[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol (PubChem CID 79852336) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
PubChem CID79852336
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol
SMILESCC1(C)CCCCC1(CO)NCc1ccccc1
InChIInChI=1S/C16H25NO/c1-15(2)10-6-7-11-16(15,13-18)17-12-14-8-4-3-5-9-14/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3
InChIKeyIVGYQMCTEVFDKS-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-methylcyclopentan-1-amine;hydrochloride
CID 171397400
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
[1-[2-(dimethylamino)ethylamino]-2,2-dimethylcyclohexyl]methanol
CID 79852600
2-(benzylamino)-2-(1-methylcyclopentyl)ethanol
CID 130768817
ethyl 1-(benzylamino)cyclooctane-1-carboxylate
CID 63524439
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
[2,2-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
CID 79863059

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol?
The IUPAC name of [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol (CID 79852336) is [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol.
What is the SMILES notation for [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol?
The canonical SMILES for [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol is CC1(C)CCCCC1(CO)NCc1ccccc1.
What is the InChIKey of [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol?
The InChIKey is IVGYQMCTEVFDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2)10-6-7-11-16(15,13-18)17-12-14-8-4-3-5-9-14/h3-5,8-9,17-18H,6-7,10-13H2,1-2H3.
What are the key properties of [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol?
[1-(benzylamino)-2,2-dimethylcyclohexyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-2,2-dimethylcyclohexyl]methanol is sourced from PubChem (CID 79852336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).