heptyl N,N-dimethylcarbamate

C10H21NO2 — CID 91542338

IUPACheptyl N,N-dimethylcarbamate
SMILESCCCCCCCOC(=O)N(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-8-9-13-10(12)11(2)3/h4-9H2,1-3H3
InChIKeyXBSCMJOMWLNTDR-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.65
Rot. Bonds6

About heptyl N,N-dimethylcarbamate

heptyl N,N-dimethylcarbamate (PubChem CID 91542338) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is heptyl N,N-dimethylcarbamate.

Molecular Properties

Compound Nameheptyl N,N-dimethylcarbamate
PubChem CID91542338
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameheptyl N,N-dimethylcarbamate
SMILESCCCCCCCOC(=O)N(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-6-7-8-9-13-10(12)11(2)3/h4-9H2,1-3H3
InChIKeyXBSCMJOMWLNTDR-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

dotriacontyl N,N-dimethylcarbamate
CID 175802283
pentyl N,N-dimethylcarbamate
CID 18534522
2-(dimethylcarbamoyloxy)ethyl hexadecanoate
CID 157350428
undecyl N-methyl-N-pentylcarbamate
CID 54297307
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
octyl N,N-di(nonyl)carbamate
CID 168918776
nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051
octyl N,N-di(undecyl)carbamate
CID 168918683
pentyl N-methyl-N-propylcarbamate
CID 58662040
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786

Frequently Asked Questions

What is the IUPAC name of heptyl N,N-dimethylcarbamate?
The IUPAC name of heptyl N,N-dimethylcarbamate (CID 91542338) is heptyl N,N-dimethylcarbamate.
What is the SMILES notation for heptyl N,N-dimethylcarbamate?
The canonical SMILES for heptyl N,N-dimethylcarbamate is CCCCCCCOC(=O)N(C)C.
What is the InChIKey of heptyl N,N-dimethylcarbamate?
The InChIKey is XBSCMJOMWLNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-7-8-9-13-10(12)11(2)3/h4-9H2,1-3H3.
What are the key properties of heptyl N,N-dimethylcarbamate?
heptyl N,N-dimethylcarbamate 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 heptyl N,N-dimethylcarbamate is sourced from PubChem (CID 91542338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).