N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide

C13H24ClNO — CID 102637926

IUPACN-(2-chlorocyclohexyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)C1CCCCC1Cl
InChIInChI=1S/C13H24ClNO/c1-10(2)8-9-13(16)15(3)12-7-5-4-6-11(12)14/h10-12H,4-9H2,1-3H3
InChIKeyRZMZRLCEXNZPKL-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.43
Rot. Bonds4

About N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide

N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide (PubChem CID 102637926) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N,4-dimethylpentanamide
PubChem CID102637926
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chlorocyclohexyl)-N,4-dimethylpentanamide
SMILESCC(C)CCC(=O)N(C)C1CCCCC1Cl
InChIInChI=1S/C13H24ClNO/c1-10(2)8-9-13(16)15(3)12-7-5-4-6-11(12)14/h10-12H,4-9H2,1-3H3
InChIKeyRZMZRLCEXNZPKL-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide (CID 102637926) is N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide is CC(C)CCC(=O)N(C)C1CCCCC1Cl.
What is the InChIKey of N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide?
The InChIKey is RZMZRLCEXNZPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-10(2)8-9-13(16)15(3)12-7-5-4-6-11(12)14/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide?
N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide has a molecular weight of 245.79 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N,4-dimethylpentanamide is sourced from PubChem (CID 102637926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).