N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide

C13H24ClNO — CID 106132381

IUPACN-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C13H24ClNO/c1-3-10(2)7-13(16)15-9-11-5-4-6-12(14)8-11/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyFBUKOWUWCRSUAT-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.34
Rot. Bonds5

About N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide

N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide (PubChem CID 106132381) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
PubChem CID106132381
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C13H24ClNO/c1-3-10(2)7-13(16)15-9-11-5-4-6-12(14)8-11/h10-12H,3-9H2,1-2H3,(H,15,16)
InChIKeyFBUKOWUWCRSUAT-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]heptanamide
CID 106132379
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114875423
N-[[2-(aminomethyl)cyclopentyl]methyl]-3-methylpentanamide
CID 114877154
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 114147613
N-[(3-chlorocyclopentyl)methyl]butanamide
CID 106126960
3-methyl-N-(piperidin-2-ylmethyl)pentanamide
CID 114874123
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-[(3-chlorocyclopentyl)methyl]-3-cyclopentylpropanamide
CID 106126792
N-[(3-chlorocyclopentyl)methyl]pentanamide
CID 106127433

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide (CID 106132381) is N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide is CCC(C)CC(=O)NCC1CCCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide?
The InChIKey is FBUKOWUWCRSUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-3-10(2)7-13(16)15-9-11-5-4-6-12(14)8-11/h10-12H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide?
N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide 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 N-[(3-chlorocyclohexyl)methyl]-3-methylpentanamide is sourced from PubChem (CID 106132381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).