2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one

C12H23NO — CID 116560204

IUPAC2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
SMILESCCC1CCC(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C12H23NO/c1-4-9-5-7-10(8-6-9)11(14)12(2,3)13/h9-10H,4-8,13H2,1-3H3
InChIKeyVRPRTVVFACBZIQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.51
Rot. Bonds3

About 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one

2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one (PubChem CID 116560204) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
PubChem CID116560204
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
SMILESCCC1CCC(C(=O)C(C)(C)N)CC1
InChIInChI=1S/C12H23NO/c1-4-9-5-7-10(8-6-9)11(14)12(2,3)13/h9-10H,4-8,13H2,1-3H3
InChIKeyVRPRTVVFACBZIQ-UHFFFAOYSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045000
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
acetic acid;ethylcyclopropane
CID 175213909
tert-butyl 3-(4-ethylcyclohexyl)-2-methyl-3-oxopropanoate
CID 66339441
2-aminoacetic acid;ethylcyclopropane
CID 144543522
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915429
2-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 79805944
4-ethylcyclohexane-1-carbothioamide
CID 64749084

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one (CID 116560204) is 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one is CCC1CCC(C(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one?
The InChIKey is VRPRTVVFACBZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-9-5-7-10(8-6-9)11(14)12(2,3)13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one?
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one is sourced from PubChem (CID 116560204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).