5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide

C13H24ClNO — CID 64743274

IUPAC5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
SMILESCC1CCC(NC(=O)CCCCCl)CC1C
InChIInChI=1S/C13H24ClNO/c1-10-6-7-12(9-11(10)2)15-13(16)5-3-4-8-14/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyYNCDRBKHJFXCCU-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.34
Rot. Bonds5

About 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide

5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide (PubChem CID 64743274) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
PubChem CID64743274
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide
SMILESCC1CCC(NC(=O)CCCCCl)CC1C
InChIInChI=1S/C13H24ClNO/c1-10-6-7-12(9-11(10)2)15-13(16)5-3-4-8-14/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyYNCDRBKHJFXCCU-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-cyclopropylbutanamide
CID 5152347
5-chloro-N-cyclooctylpentanamide
CID 28733608
2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
CID 64742950
5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
N,N'-dicyclopropyldecanediamide
CID 4668836
N-(3-methylcyclopentyl)dodecanamide
CID 114549665
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
4-chloro-N-(3-ethylcyclohexyl)butanamide
CID 64748225
3-(3-aminocyclohexyl)-N-(3,4-dimethylcyclohexyl)propanamide
CID 80700308
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide?
The IUPAC name of 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide (CID 64743274) is 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide is CC1CCC(NC(=O)CCCCCl)CC1C.
What is the InChIKey of 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide?
The InChIKey is YNCDRBKHJFXCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-10-6-7-12(9-11(10)2)15-13(16)5-3-4-8-14/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide?
5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide has a molecular weight of 245.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethylcyclohexyl)pentanamide is sourced from PubChem (CID 64743274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).