[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate

C15H29NO3 — CID 150132149

IUPAC[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate
SMILESCC(CCC1CCC(CO)CC1)C(C)(C)OC(N)=O
InChIInChI=1S/C15H29NO3/c1-11(15(2,3)19-14(16)18)4-5-12-6-8-13(10-17)9-7-12/h11-13,17H,4-10H2,1-3H3,(H2,16,18)
InChIKeyFBMHFBKAODMCMC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.08
Rot. Bonds6

About [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate

[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate (PubChem CID 150132149) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate
PubChem CID150132149
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate
SMILESCC(CCC1CCC(CO)CC1)C(C)(C)OC(N)=O
InChIInChI=1S/C15H29NO3/c1-11(15(2,3)19-14(16)18)4-5-12-6-8-13(10-17)9-7-12/h11-13,17H,4-10H2,1-3H3,(H2,16,18)
InChIKeyFBMHFBKAODMCMC-UHFFFAOYSA-N
XLogP3.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate 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

tert-butyl carbamate;(4-propylcyclohexyl)methanol
CID 174436433
2,3-dimethylbutan-2-yl carbamate
CID 20975410
tert-butyl carbamate;4-(4-methylcyclohexyl)butan-1-ol
CID 22106764
tert-butyl carbamate;3-(4-methylcyclohexyl)propan-1-ol
CID 22106791
[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dimethylpropanoate
CID 15349892
tert-butyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 112692616
4-(hydroxymethyl)-N-(2,2,3-trimethylbutyl)cyclohexane-1-carboxamide
CID 115151256
tert-butyl carbamate;4-ethylcyclohexan-1-ol
CID 144752449
2-[4-(3-methylpentyl)cyclohexyl]acetamide
CID 118946939
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
CID 54113594
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
(2-methyl-1-piperidin-4-ylpropan-2-yl) carbamate;hydrochloride
CID 174531197

Frequently Asked Questions

What is the IUPAC name of [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate?
The IUPAC name of [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate (CID 150132149) is [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate is CC(CCC1CCC(CO)CC1)C(C)(C)OC(N)=O.
What is the InChIKey of [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate?
The InChIKey is FBMHFBKAODMCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(15(2,3)19-14(16)18)4-5-12-6-8-13(10-17)9-7-12/h11-13,17H,4-10H2,1-3H3,(H2,16,18).
What are the key properties of [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate?
[5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(hydroxymethyl)cyclohexyl]-2,3-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 150132149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).