N-butyl-N-methylcarbamate

C6H12NO2- — CID 23071400

IUPACN-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-3-4-5-7(2)6(8)9/h3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyJOJYTPGNBNZJSP-UHFFFAOYSA-M
MW130.17 g/mol
LogP0.06
Rot. Bonds3

About N-butyl-N-methylcarbamate

N-butyl-N-methylcarbamate (PubChem CID 23071400) has the molecular formula C6H12NO2- and a molecular weight of 130.17 g/mol. Its IUPAC name is N-butyl-N-methylcarbamate.

Molecular Properties

Compound NameN-butyl-N-methylcarbamate
PubChem CID23071400
Molecular FormulaC6H12NO2-
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC NameN-butyl-N-methylcarbamate
SMILESCCCCN(C)C(=O)[O-]
InChIInChI=1S/C6H13NO2/c1-3-4-5-7(2)6(8)9/h3-5H2,1-2H3,(H,8,9)/p-1
InChIKeyJOJYTPGNBNZJSP-UHFFFAOYSA-M
XLogP0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
N-butyl-N-methylacetamide;ethane
CID 142088805
hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
ethane;N-methyl-N-octylacetamide
CID 142531459
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-hexyl-N-methylcarbamoyl chloride
CID 23509235
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
N,N'-dibutyl-N,N'-dimethyl-2-tetradecylpropanediamide
CID 14944519
N,N'-dibutyl-N,N'-dimethyl-2-octadecylpropanediamide
CID 71348515
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylcarbamate?
The IUPAC name of N-butyl-N-methylcarbamate (CID 23071400) is N-butyl-N-methylcarbamate.
What is the SMILES notation for N-butyl-N-methylcarbamate?
The canonical SMILES for N-butyl-N-methylcarbamate is CCCCN(C)C(=O)[O-].
What is the InChIKey of N-butyl-N-methylcarbamate?
The InChIKey is JOJYTPGNBNZJSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO2/c1-3-4-5-7(2)6(8)9/h3-5H2,1-2H3,(H,8,9)/p-1.
What are the key properties of N-butyl-N-methylcarbamate?
N-butyl-N-methylcarbamate has a molecular weight of 130.17 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylcarbamate is sourced from PubChem (CID 23071400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).