pentyl N-cyclohexyl-N-methylcarbamate

C13H25NO2 — CID 141208819

IUPACpentyl N-cyclohexyl-N-methylcarbamate
SMILESCCCCCOC(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-3-4-8-11-16-13(15)14(2)12-9-6-5-7-10-12/h12H,3-11H2,1-2H3
InChIKeyDGXCXPXBHVAZJR-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.58
Rot. Bonds5

About pentyl N-cyclohexyl-N-methylcarbamate

pentyl N-cyclohexyl-N-methylcarbamate (PubChem CID 141208819) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is pentyl N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Namepentyl N-cyclohexyl-N-methylcarbamate
PubChem CID141208819
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namepentyl N-cyclohexyl-N-methylcarbamate
SMILESCCCCCOC(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H25NO2/c1-3-4-8-11-16-13(15)14(2)12-9-6-5-7-10-12/h12H,3-11H2,1-2H3
InChIKeyDGXCXPXBHVAZJR-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl N,N-dicyclohexylcarbamate
CID 13416417
butyl 3-[cyclohexyl(methyl)amino]-3-oxopropanoate
CID 57064221
5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
CID 169317552
ethyl N-cyclohexyl-N-octadecoxycarbamate
CID 149251240
pentyl N,N-dimethylcarbamate
CID 18534522
butyl N-methyl-N-pyrrolidin-2-ylcarbamate
CID 66820260
N-cyclohexyl-N-methyl-4-pentoxybenzamide
CID 112760417
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
2-methylpropyl N-cyclopentyl-N-methylcarbamate
CID 163485016
heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206

Frequently Asked Questions

What is the IUPAC name of pentyl N-cyclohexyl-N-methylcarbamate?
The IUPAC name of pentyl N-cyclohexyl-N-methylcarbamate (CID 141208819) is pentyl N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for pentyl N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for pentyl N-cyclohexyl-N-methylcarbamate is CCCCCOC(=O)N(C)C1CCCCC1.
What is the InChIKey of pentyl N-cyclohexyl-N-methylcarbamate?
The InChIKey is DGXCXPXBHVAZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-8-11-16-13(15)14(2)12-9-6-5-7-10-12/h12H,3-11H2,1-2H3.
What are the key properties of pentyl N-cyclohexyl-N-methylcarbamate?
pentyl N-cyclohexyl-N-methylcarbamate has a molecular weight of 227.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 141208819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).