N-hexyl-N-methylcarbamoyl chloride

C8H16ClNO — CID 23509235

IUPACN-hexyl-N-methylcarbamoyl chloride
SMILESCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C8H16ClNO/c1-3-4-5-6-7-10(2)8(9)11/h3-7H2,1-2H3
InChIKeyOBPRZLTWBJYCTI-UHFFFAOYSA-N
MW177.67 g/mol
LogP2.86
Rot. Bonds5

About N-hexyl-N-methylcarbamoyl chloride

N-hexyl-N-methylcarbamoyl chloride (PubChem CID 23509235) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-hexyl-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-hexyl-N-methylcarbamoyl chloride
PubChem CID23509235
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-hexyl-N-methylcarbamoyl chloride
SMILESCCCCCCN(C)C(=O)Cl
InChIInChI=1S/C8H16ClNO/c1-3-4-5-6-7-10(2)8(9)11/h3-7H2,1-2H3
InChIKeyOBPRZLTWBJYCTI-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(methyl)carbamic acid
CID 15173799
N-decyl-N-methylacetamide
CID 22114742
ethane;N-methyl-N-octylacetamide
CID 142531459
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773
methyl N-hexyl-N-methylcarbamate
CID 14923771
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
ethyl N-methyl-N-octylcarbamate
CID 15790108
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N-butyl-N-methylcarbamate
CID 23071400
[methyl(octadecyl)amino] N-methyl-N-octadecylcarbamate
CID 101201104

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-methylcarbamoyl chloride?
The IUPAC name of N-hexyl-N-methylcarbamoyl chloride (CID 23509235) is N-hexyl-N-methylcarbamoyl chloride.
What is the SMILES notation for N-hexyl-N-methylcarbamoyl chloride?
The canonical SMILES for N-hexyl-N-methylcarbamoyl chloride is CCCCCCN(C)C(=O)Cl.
What is the InChIKey of N-hexyl-N-methylcarbamoyl chloride?
The InChIKey is OBPRZLTWBJYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-3-4-5-6-7-10(2)8(9)11/h3-7H2,1-2H3.
What are the key properties of N-hexyl-N-methylcarbamoyl chloride?
N-hexyl-N-methylcarbamoyl chloride has a molecular weight of 177.67 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methylcarbamoyl chloride is sourced from PubChem (CID 23509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).