2-(pentylamino)cyclohexan-1-one

C11H21NO — CID 67042571

IUPAC2-(pentylamino)cyclohexan-1-one
SMILESCCCCCNC1CCCCC1=O
InChIInChI=1S/C11H21NO/c1-2-3-6-9-12-10-7-4-5-8-11(10)13/h10,12H,2-9H2,1H3
InChIKeyUSJAJVPNYGPBAX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.28
Rot. Bonds5

About 2-(pentylamino)cyclohexan-1-one

2-(pentylamino)cyclohexan-1-one (PubChem CID 67042571) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(pentylamino)cyclohexan-1-one.

Molecular Properties

Compound Name2-(pentylamino)cyclohexan-1-one
PubChem CID67042571
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(pentylamino)cyclohexan-1-one
SMILESCCCCCNC1CCCCC1=O
InChIInChI=1S/C11H21NO/c1-2-3-6-9-12-10-7-4-5-8-11(10)13/h10,12H,2-9H2,1H3
InChIKeyUSJAJVPNYGPBAX-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pentylamino)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Conhydrinone
CID 426124
3-oxo-N-(2-oxocyclohexyl)pentanamide
CID 155543620
(3S)-3-Amino-1-(cyclopropylamino)heptan-2-one
CID 23647798
3-Amino-1-(cyclopropylamino)heptan-2-one
CID 10103872
1-[(2S)-Piperidin-2-yl]ethan-1-one
CID 10879277
2-Acetylpiperidine
CID 558520
2-(Diethylamino)cyclohexan-1-one
CID 13085448
1-(Piperidin-2-yl)ethanone hydrochloride
CID 53407241
N-(2-Oxocyclohexyl)octanamide
CID 3381988
1-[(2S)-piperidin-2-yl]ethan-1-one hydrochloride
CID 121552379
1-[(2R)-piperidin-2-yl]ethan-1-one hydrochloride
CID 121552380
1-Piperidin-1-ium-2-ylpropan-1-one
CID 25200953

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)cyclohexan-1-one?
The IUPAC name of 2-(pentylamino)cyclohexan-1-one (CID 67042571) is 2-(pentylamino)cyclohexan-1-one.
What is the SMILES notation for 2-(pentylamino)cyclohexan-1-one?
The canonical SMILES for 2-(pentylamino)cyclohexan-1-one is CCCCCNC1CCCCC1=O.
What is the InChIKey of 2-(pentylamino)cyclohexan-1-one?
The InChIKey is USJAJVPNYGPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-6-9-12-10-7-4-5-8-11(10)13/h10,12H,2-9H2,1H3.
What are the key properties of 2-(pentylamino)cyclohexan-1-one?
2-(pentylamino)cyclohexan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)cyclohexan-1-one is sourced from PubChem (CID 67042571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).