4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one

C12H23NO — CID 116594872

IUPAC4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one
SMILESCC1CCCC(C(=O)C(C)CCN)C1
InChIInChI=1S/C12H23NO/c1-9-4-3-5-11(8-9)12(14)10(2)6-7-13/h9-11H,3-8,13H2,1-2H3
InChIKeyMYVQUYHGXHZORK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.37
Rot. Bonds4

About 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one

4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one (PubChem CID 116594872) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one.

Molecular Properties

Compound Name4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one
PubChem CID116594872
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one
SMILESCC1CCCC(C(=O)C(C)CCN)C1
InChIInChI=1S/C12H23NO/c1-9-4-3-5-11(8-9)12(14)10(2)6-7-13/h9-11H,3-8,13H2,1-2H3
InChIKeyMYVQUYHGXHZORK-UHFFFAOYSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,5S)-7-(aminomethyl)bicyclo[3.3.1]nonan-3-one
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4-(2-Aminoethyl)cyclohexane-1,2-dione
CID 53761104
2-(2-Aminoethyl)cyclohexan-1-one
CID 82418044
1-(3-Aminocyclohexyl)ethan-1-one
CID 57953949
1-Amino-3-cyclohexylpropan-2-one
CID 65179628
2-(Aminomethyl)-4-(1,1-difluoropropyl)-3-methylcyclohexan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
The IUPAC name of 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one (CID 116594872) is 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one.
What is the SMILES notation for 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
The canonical SMILES for 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one is CC1CCCC(C(=O)C(C)CCN)C1.
What is the InChIKey of 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
The InChIKey is MYVQUYHGXHZORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-4-3-5-11(8-9)12(14)10(2)6-7-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one?
4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one has a molecular weight of 197.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-1-(3-methylcyclohexyl)butan-1-one is sourced from PubChem (CID 116594872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).