3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one

C12H21NO — CID 106655578

IUPAC3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-2-10(9-13)8-12(14)11-6-4-3-5-7-11/h6,10H,2-5,7-9,13H2,1H3
InChIKeyOYZHVGLUSQDKCJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.43
Rot. Bonds5

About 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one

3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one (PubChem CID 106655578) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
PubChem CID106655578
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
SMILESCCC(CN)CC(=O)C1=CCCCC1
InChIInChI=1S/C12H21NO/c1-2-10(9-13)8-12(14)11-6-4-3-5-7-11/h6,10H,2-5,7-9,13H2,1H3
InChIKeyOYZHVGLUSQDKCJ-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
6-amino-1-(cyclohexen-1-yl)-4-ethylhexan-1-one
CID 106655401
1-(cyclohepten-1-yl)-3-methylhexan-1-one
CID 103450521
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone
CID 106651882
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl cycloundecene-1-carboxylate
CID 154164177
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one?
The IUPAC name of 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one (CID 106655578) is 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one.
What is the SMILES notation for 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one?
The canonical SMILES for 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one is CCC(CN)CC(=O)C1=CCCCC1.
What is the InChIKey of 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one?
The InChIKey is OYZHVGLUSQDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-10(9-13)8-12(14)11-6-4-3-5-7-11/h6,10H,2-5,7-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one?
3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one is sourced from PubChem (CID 106655578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).