3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one

C14H27NO — CID 116603857

IUPAC3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
SMILESCCC(CC)(CN)C(=O)CC1CCCCC1
InChIInChI=1S/C14H27NO/c1-3-14(4-2,11-15)13(16)10-12-8-6-5-7-9-12/h12H,3-11,15H2,1-2H3
InChIKeyADWKIZKMZBVOJS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds6

About 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one

3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one (PubChem CID 116603857) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
PubChem CID116603857
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
SMILESCCC(CC)(CN)C(=O)CC1CCCCC1
InChIInChI=1S/C14H27NO/c1-3-14(4-2,11-15)13(16)10-12-8-6-5-7-9-12/h12H,3-11,15H2,1-2H3
InChIKeyADWKIZKMZBVOJS-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-(cyclohexylmethyl)butanoic acid
CID 106487425
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)butanoate
CID 106487604
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159
1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
CID 116747218
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317
2-(aminomethyl)-1-cyclobutyl-2-ethylbutan-1-one
CID 116603949
3-cyclohexyl-1,1-difluoro-2-oxopropane-1-sulfonate
CID 58100531
1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
CID 160740910
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069007
1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
CID 116566140

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one (CID 116603857) is 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one is CCC(CC)(CN)C(=O)CC1CCCCC1.
What is the InChIKey of 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one?
The InChIKey is ADWKIZKMZBVOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(4-2,11-15)13(16)10-12-8-6-5-7-9-12/h12H,3-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one?
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one is sourced from PubChem (CID 116603857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).