N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride

C8H16ClNO — CID 79886811

IUPACN-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)CN(C(=O)Cl)C(C)C
InChIInChI=1S/C8H16ClNO/c1-6(2)5-10(7(3)4)8(9)11/h6-7H,5H2,1-4H3
InChIKeyBHHNFHDJYFVHCG-UHFFFAOYSA-N
MW177.67 g/mol
LogP2.71
Rot. Bonds3

About N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride

N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride (PubChem CID 79886811) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
PubChem CID79886811
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride
SMILESCC(C)CN(C(=O)Cl)C(C)C
InChIInChI=1S/C8H16ClNO/c1-6(2)5-10(7(3)4)8(9)11/h6-7H,5H2,1-4H3
InChIKeyBHHNFHDJYFVHCG-UHFFFAOYSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 52.71
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

2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
CID 82966552
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462
2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948640
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 23588339
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(propan-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091957
2-[bis(2-methylpropyl)amino]acetyl chloride
CID 39254720
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
2-chloro-N-(3-methylbutyl)-N-propan-2-ylacetamide
CID 141318691
4-(methylamino)-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946124

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride?
The IUPAC name of N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride (CID 79886811) is N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride.
What is the SMILES notation for N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride?
The canonical SMILES for N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride is CC(C)CN(C(=O)Cl)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride?
The InChIKey is BHHNFHDJYFVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-6(2)5-10(7(3)4)8(9)11/h6-7H,5H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride?
N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride has a molecular weight of 177.67 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-propan-2-ylcarbamoyl chloride is sourced from PubChem (CID 79886811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).