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

C10H17NO — CID 106655132

IUPAC2-amino-1-(cyclohepten-1-yl)propan-1-one
SMILESCC(N)C(=O)C1=CCCCCC1
InChIInChI=1S/C10H17NO/c1-8(11)10(12)9-6-4-2-3-5-7-9/h6,8H,2-5,7,11H2,1H3
InChIKeyIMTNMNMKOFBPTM-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-1-(cyclohepten-1-yl)propan-1-one

2-amino-1-(cyclohepten-1-yl)propan-1-one (PubChem CID 106655132) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-amino-1-(cyclohepten-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(cyclohepten-1-yl)propan-1-one
PubChem CID106655132
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-amino-1-(cyclohepten-1-yl)propan-1-one
SMILESCC(N)C(=O)C1=CCCCCC1
InChIInChI=1S/C10H17NO/c1-8(11)10(12)9-6-4-2-3-5-7-9/h6,8H,2-5,7,11H2,1H3
InChIKeyIMTNMNMKOFBPTM-UHFFFAOYSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
2-amino-1-(cyclohexen-1-yl)-3,3-dimethylbutan-1-one
CID 106655718
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
6-amino-1-(cyclohexen-1-yl)-2-methylheptan-1-one
CID 106655363
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
cycloheptene-1-carboxamide
CID 22261654
1-(cyclohepten-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309405
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
ethyl cycloundecene-1-carboxylate
CID 154164177
1-(cyclohexen-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 106655273
1-(cycloocten-1-yl)-2-methoxypentan-1-one
CID 106652220
cyclohexene-1-carboxamide;ethane;molecular hydrogen
CID 162375470

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(cyclohepten-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(cyclohepten-1-yl)propan-1-one (CID 106655132) is 2-amino-1-(cyclohepten-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(cyclohepten-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(cyclohepten-1-yl)propan-1-one is CC(N)C(=O)C1=CCCCCC1.
What is the InChIKey of 2-amino-1-(cyclohepten-1-yl)propan-1-one?
The InChIKey is IMTNMNMKOFBPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(11)10(12)9-6-4-2-3-5-7-9/h6,8H,2-5,7,11H2,1H3.
What are the key properties of 2-amino-1-(cyclohepten-1-yl)propan-1-one?
2-amino-1-(cyclohepten-1-yl)propan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(cyclohepten-1-yl)propan-1-one is sourced from PubChem (CID 106655132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).