N-butyl-N-methylcarbamoyl chloride

C6H12ClNO — CID 14673135

IUPACN-butyl-N-methylcarbamoyl chloride
SMILESCCCCN(C)C(=O)Cl
InChIInChI=1S/C6H12ClNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKeyCHGVIQWWXDOWRN-UHFFFAOYSA-N
MW149.62 g/mol
LogP2.08
Rot. Bonds3

About N-butyl-N-methylcarbamoyl chloride

N-butyl-N-methylcarbamoyl chloride (PubChem CID 14673135) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-butyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-butyl-N-methylcarbamoyl chloride
PubChem CID14673135
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-butyl-N-methylcarbamoyl chloride
SMILESCCCCN(C)C(=O)Cl
InChIInChI=1S/C6H12ClNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3
InChIKeyCHGVIQWWXDOWRN-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Diethylcarbamoyl chloride
CID 6916
Dibutylcarbamoyl chloride
CID 83371
N-Ethyl-N-methylcarbamoyl chloride
CID 11240471
Dipropylcarbamoyl chloride
CID 3015348
N-methyl-N-propylcarbamoyl chloride
CID 15040338
Methyl(pentyl)carbamyl chloride
CID 15209943
N-butyl-N-ethylcarbamoyl chloride
CID 15338770
N-ethyl-N-propylcarbamoyl chloride
CID 19707987
N-methyl-N-(propan-2-yl)carbamoyl chloride
CID 21956030
N-methyl-N-(2-methylpropyl)carbamoyl chloride
CID 79880813
N-(cyclopropylmethyl)-N-methylcarbamoyl chloride
CID 88540922
N-cyclobutyl-N-methylcarbamoyl chloride
CID 88541710

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylcarbamoyl chloride?
The IUPAC name of N-butyl-N-methylcarbamoyl chloride (CID 14673135) is N-butyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-butyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-butyl-N-methylcarbamoyl chloride is CCCCN(C)C(=O)Cl.
What is the InChIKey of N-butyl-N-methylcarbamoyl chloride?
The InChIKey is CHGVIQWWXDOWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-3-4-5-8(2)6(7)9/h3-5H2,1-2H3.
What are the key properties of N-butyl-N-methylcarbamoyl chloride?
N-butyl-N-methylcarbamoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 14673135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).