2-(2-aminoethyl)cyclohexan-1-one

C8H15NO — CID 82418044

IUPAC2-(2-aminoethyl)cyclohexan-1-one
SMILESNCCC1CCCCC1=O
InChIInChI=1S/C8H15NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-6,9H2
InChIKeyCQKMZMQVLWFZBF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.09
Rot. Bonds2

About 2-(2-aminoethyl)cyclohexan-1-one

2-(2-aminoethyl)cyclohexan-1-one (PubChem CID 82418044) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-aminoethyl)cyclohexan-1-one
PubChem CID82418044
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(2-aminoethyl)cyclohexan-1-one
SMILESNCCC1CCCCC1=O
InChIInChI=1S/C8H15NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-6,9H2
InChIKeyCQKMZMQVLWFZBF-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-aminoethyl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-1-cyclohexylethan-1-one hydrochloride
CID 22281606
2-Amino-1-cyclohexylethan-1-one
CID 20519208
16-Amino-1-cyclohexylhexadecan-1-one
CID 53432240
1-(3-Aminocyclohexyl)ethan-1-one hydrochloride
CID 86775855
1-Amino-3-cyclohexylpropan-2-one hydrochloride
CID 126801800
4-(2-Aminoethyl)cyclohexane-1,2-dione
CID 53761104
1-(3-Aminocyclohexyl)ethan-1-one
CID 57953949
1-Amino-3-cyclohexylpropan-2-one
CID 65179628
1-Amino-3-cyclopentylpropan-2-one
CID 65179849
2-Amino-1-(3,4-difluorocyclohexyl)ethanone
CID 140478916
2-Amino-1-(2,5-difluorocyclohexyl)ethanone
CID 140478924
2-(2-Azidoethyl)cyclohexan-1-one
CID 86185092

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-aminoethyl)cyclohexan-1-one (CID 82418044) is 2-(2-aminoethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-aminoethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-aminoethyl)cyclohexan-1-one is NCCC1CCCCC1=O.
What is the InChIKey of 2-(2-aminoethyl)cyclohexan-1-one?
The InChIKey is CQKMZMQVLWFZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c9-6-5-7-3-1-2-4-8(7)10/h7H,1-6,9H2.
What are the key properties of 2-(2-aminoethyl)cyclohexan-1-one?
2-(2-aminoethyl)cyclohexan-1-one has a molecular weight of 141.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)cyclohexan-1-one is sourced from PubChem (CID 82418044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).