2-propylpentyl N-cyclohexylcarbamate

C15H29NO2 — CID 57342031

IUPAC2-propylpentyl N-cyclohexylcarbamate
SMILESCCCC(CCC)COC(=O)NC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-8-13(9-4-2)12-18-15(17)16-14-10-6-5-7-11-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyVPAKUNRMHOCQAH-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.26
Rot. Bonds7

About 2-propylpentyl N-cyclohexylcarbamate

2-propylpentyl N-cyclohexylcarbamate (PubChem CID 57342031) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-propylpentyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-propylpentyl N-cyclohexylcarbamate
PubChem CID57342031
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-propylpentyl N-cyclohexylcarbamate
SMILESCCCC(CCC)COC(=O)NC1CCCCC1
InChIInChI=1S/C15H29NO2/c1-3-8-13(9-4-2)12-18-15(17)16-14-10-6-5-7-11-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeyVPAKUNRMHOCQAH-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propylpentyl N-cyclohexylcarbamate 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

Carbamic acid, N-cyclohexyl-, ethyl ester
CID 95183
Cyclohexyl-carbamic acid hexyl ester
CID 10998746
4-cyclohexylbutyl N-cyclohexylcarbamate
CID 22978793
Trans-4-(Boc-amino)-cyclohexanemethanamine hydrochloride
CID 2756044
tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate
CID 2756045
2-Ethylhexyl (6-isocyanatohexyl)-carbamate
CID 16205032
1,1-Dimethylethyl N-((4-aminocyclohexyl)methyl)carbamate
CID 21882540
tert-butyl N-[3-(aminomethyl)cyclohexyl]carbamate
CID 22713997
rac-tert-butyl N-{[(1r,4r)-4-(methylamino)cyclohexyl]methyl}carbamate
CID 58962901
tert-Butyl ((1R,2S)-2-(aminomethyl)cyclohexyl)carbamate
CID 68007523
tert-butyl N-[(3-aminocyclohexyl)methyl]carbamate
CID 69202622
tert-butyl N-(2-(aminomethyl)cyclohexyl)carbamate
CID 69840624

Frequently Asked Questions

What is the IUPAC name of 2-propylpentyl N-cyclohexylcarbamate?
The IUPAC name of 2-propylpentyl N-cyclohexylcarbamate (CID 57342031) is 2-propylpentyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-propylpentyl N-cyclohexylcarbamate?
The canonical SMILES for 2-propylpentyl N-cyclohexylcarbamate is CCCC(CCC)COC(=O)NC1CCCCC1.
What is the InChIKey of 2-propylpentyl N-cyclohexylcarbamate?
The InChIKey is VPAKUNRMHOCQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-8-13(9-4-2)12-18-15(17)16-14-10-6-5-7-11-14/h13-14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 2-propylpentyl N-cyclohexylcarbamate?
2-propylpentyl N-cyclohexylcarbamate has a molecular weight of 255.40 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentyl N-cyclohexylcarbamate is sourced from PubChem (CID 57342031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).