3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one

C15H21NO — CID 115038495

IUPAC3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
SMILESNCCCc1ccccc1C1CCCC(=O)C1
InChIInChI=1S/C15H21NO/c16-10-4-7-12-5-1-2-9-15(12)13-6-3-8-14(17)11-13/h1-2,5,9,13H,3-4,6-8,10-11,16H2
InChIKeyLPURKDUJYQJKGE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.80
Rot. Bonds4

About 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one

3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one (PubChem CID 115038495) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
PubChem CID115038495
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one
SMILESNCCCc1ccccc1C1CCCC(=O)C1
InChIInChI=1S/C15H21NO/c16-10-4-7-12-5-1-2-9-15(12)13-6-3-8-14(17)11-13/h1-2,5,9,13H,3-4,6-8,10-11,16H2
InChIKeyLPURKDUJYQJKGE-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3-oxocyclohexyl)benzaldehyde
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4-[2-(oxan-4-yl)phenyl]butan-1-amine
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(3S)-3-naphthalen-1-ylcycloheptan-1-one
CID 101392691
(3R)-3-phenylcyclohexan-1-one
CID 11041212
3-(2,3-dichlorophenyl)cyclohexan-1-one
CID 64520336
3-isoquinolin-8-ylcyclohexan-1-one
CID 103144156
3-(2,6-dimethylphenyl)cyclohexan-1-one
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CID 154399814

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one?
The IUPAC name of 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one (CID 115038495) is 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one is NCCCc1ccccc1C1CCCC(=O)C1.
What is the InChIKey of 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one?
The InChIKey is LPURKDUJYQJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-10-4-7-12-5-1-2-9-15(12)13-6-3-8-14(17)11-13/h1-2,5,9,13H,3-4,6-8,10-11,16H2.
What are the key properties of 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one?
3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one has a molecular weight of 231.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopropyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 115038495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).