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

C7H14ClNO — CID 19080216

IUPACN-ethyl-N-(2-methylpropyl)carbamoyl chloride
SMILESCCN(CC(C)C)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-4-9(7(8)10)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyPHXNYRJTLCGBCS-UHFFFAOYSA-N
MW163.65 g/mol
LogP2.32
Rot. Bonds3

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

N-ethyl-N-(2-methylpropyl)carbamoyl chloride (PubChem CID 19080216) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)carbamoyl chloride.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)carbamoyl chloride
PubChem CID19080216
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-ethyl-N-(2-methylpropyl)carbamoyl chloride
SMILESCCN(CC(C)C)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-4-9(7(8)10)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyPHXNYRJTLCGBCS-UHFFFAOYSA-N
XLogP2.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 52.32
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
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-methyl-N-(2-methylpropyl)carbamoyl chloride
CID 79880813
3-Methylpyrrolidine-1-carbonyl chloride
CID 79880989
N-(cyclopropylmethyl)-N-methylcarbamoyl chloride
CID 88540922
N-methyl-N-(2-methylbutyl)carbamoyl chloride
CID 79886807
Diisobutylcarbamoyl chloride
CID 3016026
N-(butan-2-yl)-N-ethylcarbamoyl chloride
CID 19070647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)carbamoyl chloride?
The IUPAC name of N-ethyl-N-(2-methylpropyl)carbamoyl chloride (CID 19080216) is N-ethyl-N-(2-methylpropyl)carbamoyl chloride.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)carbamoyl chloride?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)carbamoyl chloride is CCN(CC(C)C)C(=O)Cl.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)carbamoyl chloride?
The InChIKey is PHXNYRJTLCGBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-9(7(8)10)5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)carbamoyl chloride?
N-ethyl-N-(2-methylpropyl)carbamoyl chloride has a molecular weight of 163.65 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)carbamoyl chloride is sourced from PubChem (CID 19080216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).