N-methyl-N-pentylcarbamoyl chloride

C7H14ClNO — CID 15209943

IUPACN-methyl-N-pentylcarbamoyl chloride
SMILESCCCCCN(C)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-4-5-6-9(2)7(8)10/h3-6H2,1-2H3
InChIKeyOCDPLMCWDJXNTG-UHFFFAOYSA-N
MW163.65 g/mol
LogP2.47
Rot. Bonds4

About N-methyl-N-pentylcarbamoyl chloride

N-methyl-N-pentylcarbamoyl chloride (PubChem CID 15209943) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-methyl-N-pentylcarbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-pentylcarbamoyl chloride
PubChem CID15209943
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-methyl-N-pentylcarbamoyl chloride
SMILESCCCCCN(C)C(=O)Cl
InChIInChI=1S/C7H14ClNO/c1-3-4-5-6-9(2)7(8)10/h3-6H2,1-2H3
InChIKeyOCDPLMCWDJXNTG-UHFFFAOYSA-N
XLogP2.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 52.47
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

1-Piperidinecarbonyl chloride
CID 242085
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-cyclopentyl-N-methylcarbamoyl chloride
CID 19070632
N-ethyl-N-propylcarbamoyl chloride
CID 19707987
Methyl(octyl)carbamic chloride
CID 15209944
N-heptyl-N-methylcarbamoyl chloride
CID 21736985
CID 12225352
CID 12225352
N-dodecyl-N-methylcarbamoyl chloride
CID 14857255
Methyl(nonyl)carbamyl chloride
CID 15209945

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentylcarbamoyl chloride?
The IUPAC name of N-methyl-N-pentylcarbamoyl chloride (CID 15209943) is N-methyl-N-pentylcarbamoyl chloride.
What is the SMILES notation for N-methyl-N-pentylcarbamoyl chloride?
The canonical SMILES for N-methyl-N-pentylcarbamoyl chloride is CCCCCN(C)C(=O)Cl.
What is the InChIKey of N-methyl-N-pentylcarbamoyl chloride?
The InChIKey is OCDPLMCWDJXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-3-4-5-6-9(2)7(8)10/h3-6H2,1-2H3.
What are the key properties of N-methyl-N-pentylcarbamoyl chloride?
N-methyl-N-pentylcarbamoyl chloride has a molecular weight of 163.65 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentylcarbamoyl chloride is sourced from PubChem (CID 15209943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).