4-(1-aminopropyl)cyclohexan-1-one

C9H17NO — CID 116941905

IUPAC4-(1-aminopropyl)cyclohexan-1-one
SMILESCCC(N)C1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-2-9(10)7-3-5-8(11)6-4-7/h7,9H,2-6,10H2,1H3
InChIKeyZSRLOFLMFVQITK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds2

About 4-(1-aminopropyl)cyclohexan-1-one

4-(1-aminopropyl)cyclohexan-1-one (PubChem CID 116941905) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(1-aminopropyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1-aminopropyl)cyclohexan-1-one
PubChem CID116941905
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(1-aminopropyl)cyclohexan-1-one
SMILESCCC(N)C1CCC(=O)CC1
InChIInChI=1S/C9H17NO/c1-2-9(10)7-3-5-8(11)6-4-7/h7,9H,2-6,10H2,1H3
InChIKeyZSRLOFLMFVQITK-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-oxocyclohexyl)butanoate
CID 121318109
4-[amino(cyclobutyl)methyl]cyclohexan-1-one
CID 116942015
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798
3-(4-oxocyclohexyl)pentanoic acid
CID 152652607
4-(2,4-dimethylpentan-3-yl)cyclohexan-1-one
CID 58749642
4-[cyclopentyl(methylamino)methyl]cyclohexan-1-one
CID 116957111
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079
4-(1-hydroxy-2-methylsulfanylethyl)cyclohexan-1-one
CID 58562746
(1S)-1-(thiepan-4-yl)propan-1-amine
CID 164659689
1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine
CID 126539680
methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
(3S)-3-(1-hydroxy-2-methylpropyl)cyclopentan-1-one
CID 58072083

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)cyclohexan-1-one?
The IUPAC name of 4-(1-aminopropyl)cyclohexan-1-one (CID 116941905) is 4-(1-aminopropyl)cyclohexan-1-one.
What is the SMILES notation for 4-(1-aminopropyl)cyclohexan-1-one?
The canonical SMILES for 4-(1-aminopropyl)cyclohexan-1-one is CCC(N)C1CCC(=O)CC1.
What is the InChIKey of 4-(1-aminopropyl)cyclohexan-1-one?
The InChIKey is ZSRLOFLMFVQITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-9(10)7-3-5-8(11)6-4-7/h7,9H,2-6,10H2,1H3.
What are the key properties of 4-(1-aminopropyl)cyclohexan-1-one?
4-(1-aminopropyl)cyclohexan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)cyclohexan-1-one is sourced from PubChem (CID 116941905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).