pentyl N,N-dimethylcarbamate

C8H17NO2 — CID 18534522

IUPACpentyl N,N-dimethylcarbamate
SMILESCCCCCOC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyWIGKXSNNRUUBPD-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.87
Rot. Bonds4

About pentyl N,N-dimethylcarbamate

pentyl N,N-dimethylcarbamate (PubChem CID 18534522) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is pentyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namepentyl N,N-dimethylcarbamate
PubChem CID18534522
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepentyl N,N-dimethylcarbamate
SMILESCCCCCOC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyWIGKXSNNRUUBPD-UHFFFAOYSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.87
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

heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
pentyl N-methyl-N-propylcarbamate
CID 58662040
2-(dimethylcarbamoyloxy)ethyl hexadecanoate
CID 157350428
undecyl N-methyl-N-pentylcarbamate
CID 54297307
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777

Frequently Asked Questions

What is the IUPAC name of pentyl N,N-dimethylcarbamate?
The IUPAC name of pentyl N,N-dimethylcarbamate (CID 18534522) is pentyl N,N-dimethylcarbamate.
What is the SMILES notation for pentyl N,N-dimethylcarbamate?
The canonical SMILES for pentyl N,N-dimethylcarbamate is CCCCCOC(=O)N(C)C.
What is the InChIKey of pentyl N,N-dimethylcarbamate?
The InChIKey is WIGKXSNNRUUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3.
What are the key properties of pentyl N,N-dimethylcarbamate?
pentyl N,N-dimethylcarbamate has a molecular weight of 159.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N,N-dimethylcarbamate is sourced from PubChem (CID 18534522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).