3-[3-(propylamino)propyl]cyclohexan-1-one

C12H23NO — CID 144644512

IUPAC3-[3-(propylamino)propyl]cyclohexan-1-one
SMILESCCCNCCCC1CCCC(=O)C1
InChIInChI=1S/C12H23NO/c1-2-8-13-9-4-6-11-5-3-7-12(14)10-11/h11,13H,2-10H2,1H3
InChIKeyAGVUSQDMXBCMCN-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.53
Rot. Bonds6

About 3-[3-(propylamino)propyl]cyclohexan-1-one

3-[3-(propylamino)propyl]cyclohexan-1-one (PubChem CID 144644512) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[3-(propylamino)propyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[3-(propylamino)propyl]cyclohexan-1-one
PubChem CID144644512
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[3-(propylamino)propyl]cyclohexan-1-one
SMILESCCCNCCCC1CCCC(=O)C1
InChIInChI=1S/C12H23NO/c1-2-8-13-9-4-6-11-5-3-7-12(14)10-11/h11,13H,2-10H2,1H3
InChIKeyAGVUSQDMXBCMCN-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(propylamino)propyl]cyclohexan-1-one?
The IUPAC name of 3-[3-(propylamino)propyl]cyclohexan-1-one (CID 144644512) is 3-[3-(propylamino)propyl]cyclohexan-1-one.
What is the SMILES notation for 3-[3-(propylamino)propyl]cyclohexan-1-one?
The canonical SMILES for 3-[3-(propylamino)propyl]cyclohexan-1-one is CCCNCCCC1CCCC(=O)C1.
What is the InChIKey of 3-[3-(propylamino)propyl]cyclohexan-1-one?
The InChIKey is AGVUSQDMXBCMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-8-13-9-4-6-11-5-3-7-12(14)10-11/h11,13H,2-10H2,1H3.
What are the key properties of 3-[3-(propylamino)propyl]cyclohexan-1-one?
3-[3-(propylamino)propyl]cyclohexan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(propylamino)propyl]cyclohexan-1-one is sourced from PubChem (CID 144644512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).