pentyl N-methyl-N-propylcarbamate

C10H21NO2 — CID 58662040

IUPACpentyl N-methyl-N-propylcarbamate
SMILESCCCCCOC(=O)N(C)CCC
InChIInChI=1S/C10H21NO2/c1-4-6-7-9-13-10(12)11(3)8-5-2/h4-9H2,1-3H3
InChIKeyNJWJPXSRXJPJNL-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds6

About pentyl N-methyl-N-propylcarbamate

pentyl N-methyl-N-propylcarbamate (PubChem CID 58662040) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is pentyl N-methyl-N-propylcarbamate.

Molecular Properties

Compound Namepentyl N-methyl-N-propylcarbamate
PubChem CID58662040
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepentyl N-methyl-N-propylcarbamate
SMILESCCCCCOC(=O)N(C)CCC
InChIInChI=1S/C10H21NO2/c1-4-6-7-9-13-10(12)11(3)8-5-2/h4-9H2,1-3H3
InChIKeyNJWJPXSRXJPJNL-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.65
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

undecyl N-methyl-N-pentylcarbamate
CID 54297307
pentyl N,N-dimethylcarbamate
CID 18534522
heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
methyl-(6-oxo-6-undecoxyhexyl)carbamic acid;undecyl N-methyl-N-pentylcarbamate
CID 173281118
octyl N,N-di(nonyl)carbamate
CID 168918776
ethyl N-methyl-N-octylcarbamate
CID 15790108
octyl N,N-di(undecyl)carbamate
CID 168918683
butyl N-[2-(tert-butylamino)ethyl]-N-methylcarbamate
CID 150956577
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
octyl 2-[ethoxycarbonyl(methyl)amino]acetate
CID 91709596
nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051

Frequently Asked Questions

What is the IUPAC name of pentyl N-methyl-N-propylcarbamate?
The IUPAC name of pentyl N-methyl-N-propylcarbamate (CID 58662040) is pentyl N-methyl-N-propylcarbamate.
What is the SMILES notation for pentyl N-methyl-N-propylcarbamate?
The canonical SMILES for pentyl N-methyl-N-propylcarbamate is CCCCCOC(=O)N(C)CCC.
What is the InChIKey of pentyl N-methyl-N-propylcarbamate?
The InChIKey is NJWJPXSRXJPJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-7-9-13-10(12)11(3)8-5-2/h4-9H2,1-3H3.
What are the key properties of pentyl N-methyl-N-propylcarbamate?
pentyl N-methyl-N-propylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-methyl-N-propylcarbamate is sourced from PubChem (CID 58662040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).