5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide

C13H24ClNO2 — CID 103966027

IUPAC5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
SMILESO=C(CCCCCl)NCC1(CO)CCCCC1
InChIInChI=1S/C13H24ClNO2/c14-9-5-2-6-12(17)15-10-13(11-16)7-3-1-4-8-13/h16H,1-11H2,(H,15,17)
InChIKeyVZIBMQCQMVKHLK-UHFFFAOYSA-N
MW261.79 g/mol
LogP2.45
Rot. Bonds7

About 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide

5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide (PubChem CID 103966027) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
PubChem CID103966027
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
SMILESO=C(CCCCCl)NCC1(CO)CCCCC1
InChIInChI=1S/C13H24ClNO2/c14-9-5-2-6-12(17)15-10-13(11-16)7-3-1-4-8-13/h16H,1-11H2,(H,15,17)
InChIKeyVZIBMQCQMVKHLK-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pentanamide
CID 83117115
5-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]hexanamide
CID 82853951
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
N-[[1-(chloromethyl)cyclopentyl]methyl]octanamide
CID 115363870
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
6-[(1-ethylcyclopentyl)methylamino]-6-oxohexanoic acid
CID 114124800
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The IUPAC name of 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide (CID 103966027) is 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide is O=C(CCCCCl)NCC1(CO)CCCCC1.
What is the InChIKey of 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
The InChIKey is VZIBMQCQMVKHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c14-9-5-2-6-12(17)15-10-13(11-16)7-3-1-4-8-13/h16H,1-11H2,(H,15,17).
What are the key properties of 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide?
5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide has a molecular weight of 261.79 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide is sourced from PubChem (CID 103966027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).