N-methyl-N-(2-methylpropyl)carbamoyl chloride

C6H12ClNO — CID 79880813

IUPACN-methyl-N-(2-methylpropyl)carbamoyl chloride
SMILESCC(C)CN(C)C(=O)Cl
InChIInChI=1S/C6H12ClNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3
InChIKeyBWOVQCBKUXJWNF-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.93
Rot. Bonds2

About N-methyl-N-(2-methylpropyl)carbamoyl chloride

N-methyl-N-(2-methylpropyl)carbamoyl chloride (PubChem CID 79880813) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)carbamoyl chloride
PubChem CID79880813
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-methyl-N-(2-methylpropyl)carbamoyl chloride
SMILESCC(C)CN(C)C(=O)Cl
InChIInChI=1S/C6H12ClNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3
InChIKeyBWOVQCBKUXJWNF-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.93
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'}

Analyze N-methyl-N-(2-methylpropyl)carbamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Ethyl-N-methylcarbamoyl chloride
CID 11240471
Dipropylcarbamoyl chloride
CID 3015348
N-butyl-N-methylcarbamoyl chloride
CID 14673135
N-methyl-N-propylcarbamoyl chloride
CID 15040338
N-butyl-N-ethylcarbamoyl chloride
CID 15338770
N-ethyl-N-propylcarbamoyl chloride
CID 19707987
N-(cyclopropylmethyl)-N-methylcarbamoyl chloride
CID 88540922
N-(1-chloro-2-methylpropyl)-N-methylcarbamoyl chloride
CID 21822753
N-methyl-N-(2-methylbutyl)carbamoyl chloride
CID 79886807
N-(3-fluoropropyl)-N-methylcarbamoyl chloride
CID 165979594
Diisobutylcarbamoyl chloride
CID 3016026
N-butan-2-yl-N-methylcarbamoyl chloride
CID 19070645

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)carbamoyl chloride?
The IUPAC name of N-methyl-N-(2-methylpropyl)carbamoyl chloride (CID 79880813) is N-methyl-N-(2-methylpropyl)carbamoyl chloride.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)carbamoyl chloride?
The canonical SMILES for N-methyl-N-(2-methylpropyl)carbamoyl chloride is CC(C)CN(C)C(=O)Cl.
What is the InChIKey of N-methyl-N-(2-methylpropyl)carbamoyl chloride?
The InChIKey is BWOVQCBKUXJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-5(2)4-8(3)6(7)9/h5H,4H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)carbamoyl chloride?
N-methyl-N-(2-methylpropyl)carbamoyl chloride has a molecular weight of 149.62 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)carbamoyl chloride is sourced from PubChem (CID 79880813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).