butyl N,N-dimethylcarbamate

C7H15NO2 — CID 4254211

IUPACbutyl N,N-dimethylcarbamate
SMILESCCCCOC(=O)N(C)C
InChIInChI=1S/C7H15NO2/c1-4-5-6-10-7(9)8(2)3/h4-6H2,1-3H3
InChIKeyMZWPUQMAMJFJPQ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.48
Rot. Bonds3

About butyl N,N-dimethylcarbamate

butyl N,N-dimethylcarbamate (PubChem CID 4254211) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is butyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namebutyl N,N-dimethylcarbamate
PubChem CID4254211
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namebutyl N,N-dimethylcarbamate
SMILESCCCCOC(=O)N(C)C
InChIInChI=1S/C7H15NO2/c1-4-5-6-10-7(9)8(2)3/h4-6H2,1-3H3
InChIKeyMZWPUQMAMJFJPQ-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.48
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

Carbamic acid, N,N-dimethyl-, ethyl ester
CID 12709
Isopropyl dimethylcarbamate
CID 95685
2-Fluoroethyl N,N-dimethylcarbamate
CID 89344688
Carbamic acid, N,N-dimethyl-, 2-methoxyethyl ester
CID 3084950
4-Butoxycarbonyl-methylurethane
CID 53685977
butyl N-ethyl-N-methylcarbamate
CID 57290167
Butyl bis(chloromethyl)carbamate
CID 122448
2-fluoroethyl N-(methoxymethyl)-N-methylcarbamate
CID 87169703
2,2,3,3,4,4,4-heptafluorobutyl N,N-dimethylcarbamate
CID 140189194
2-Methylpropyl dimethylcarbamate
CID 13433124
CID 134952189
CID 134952189
propyl N-cyano-N-methylcarbamate
CID 12295277

Frequently Asked Questions

What is the IUPAC name of butyl N,N-dimethylcarbamate?
The IUPAC name of butyl N,N-dimethylcarbamate (CID 4254211) is butyl N,N-dimethylcarbamate.
What is the SMILES notation for butyl N,N-dimethylcarbamate?
The canonical SMILES for butyl N,N-dimethylcarbamate is CCCCOC(=O)N(C)C.
What is the InChIKey of butyl N,N-dimethylcarbamate?
The InChIKey is MZWPUQMAMJFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5-6-10-7(9)8(2)3/h4-6H2,1-3H3.
What are the key properties of butyl N,N-dimethylcarbamate?
butyl N,N-dimethylcarbamate has a molecular weight of 145.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N,N-dimethylcarbamate is sourced from PubChem (CID 4254211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).