3-amino-1-(cyclohepten-1-yl)propan-1-one

C10H17NO — CID 106655124

IUPAC3-amino-1-(cyclohepten-1-yl)propan-1-one
SMILESNCCC(=O)C1=CCCCCC1
InChIInChI=1S/C10H17NO/c11-8-7-10(12)9-5-3-1-2-4-6-9/h5H,1-4,6-8,11H2
InChIKeyJRVAQXUXFNVPPT-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.79
Rot. Bonds3

About 3-amino-1-(cyclohepten-1-yl)propan-1-one

3-amino-1-(cyclohepten-1-yl)propan-1-one (PubChem CID 106655124) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-amino-1-(cyclohepten-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(cyclohepten-1-yl)propan-1-one
PubChem CID106655124
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-amino-1-(cyclohepten-1-yl)propan-1-one
SMILESNCCC(=O)C1=CCCCCC1
InChIInChI=1S/C10H17NO/c11-8-7-10(12)9-5-3-1-2-4-6-9/h5H,1-4,6-8,11H2
InChIKeyJRVAQXUXFNVPPT-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690
6-amino-1-(cyclohexen-1-yl)-4-ethylhexan-1-one
CID 106655401
2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
CID 106655526
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
cycloheptene-1-carboxamide
CID 22261654
[1-(aminomethyl)cyclobutyl]-(cycloocten-1-yl)methanone
CID 106655611
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590
2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
CID 106655745
1-(cyclohexen-1-yl)hex-5-en-1-one
CID 15531059

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclohepten-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(cyclohepten-1-yl)propan-1-one (CID 106655124) is 3-amino-1-(cyclohepten-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(cyclohepten-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(cyclohepten-1-yl)propan-1-one is NCCC(=O)C1=CCCCCC1.
What is the InChIKey of 3-amino-1-(cyclohepten-1-yl)propan-1-one?
The InChIKey is JRVAQXUXFNVPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c11-8-7-10(12)9-5-3-1-2-4-6-9/h5H,1-4,6-8,11H2.
What are the key properties of 3-amino-1-(cyclohepten-1-yl)propan-1-one?
3-amino-1-(cyclohepten-1-yl)propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclohepten-1-yl)propan-1-one is sourced from PubChem (CID 106655124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).