3-(aminomethyl)-1-cyclohexylpentan-2-one

C12H23NO — CID 116575171

IUPAC3-(aminomethyl)-1-cyclohexylpentan-2-one
SMILESCCC(CN)C(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-11(9-13)12(14)8-10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3
InChIKeyQSJXGZFUCHXNOG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds5

About 3-(aminomethyl)-1-cyclohexylpentan-2-one

3-(aminomethyl)-1-cyclohexylpentan-2-one (PubChem CID 116575171) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclohexylpentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclohexylpentan-2-one
PubChem CID116575171
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-(aminomethyl)-1-cyclohexylpentan-2-one
SMILESCCC(CN)C(=O)CC1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-11(9-13)12(14)8-10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3
InChIKeyQSJXGZFUCHXNOG-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclohexylpentan-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclohexylpentan-2-one (CID 116575171) is 3-(aminomethyl)-1-cyclohexylpentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclohexylpentan-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclohexylpentan-2-one is CCC(CN)C(=O)CC1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-1-cyclohexylpentan-2-one?
The InChIKey is QSJXGZFUCHXNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-11(9-13)12(14)8-10-6-4-3-5-7-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclohexylpentan-2-one?
3-(aminomethyl)-1-cyclohexylpentan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclohexylpentan-2-one is sourced from PubChem (CID 116575171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).