5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one

C13H25NO — CID 116613468

IUPAC5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one
SMILESCC1CCCC(C(=O)C(C)CCCN)C1
InChIInChI=1S/C13H25NO/c1-10-5-3-7-12(9-10)13(15)11(2)6-4-8-14/h10-12H,3-9,14H2,1-2H3
InChIKeyVKURNZMNYIWSFR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.76
Rot. Bonds5

About 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one

5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one (PubChem CID 116613468) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one
PubChem CID116613468
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one
SMILESCC1CCCC(C(=O)C(C)CCCN)C1
InChIInChI=1S/C13H25NO/c1-10-5-3-7-12(9-10)13(15)11(2)6-4-8-14/h10-12H,3-9,14H2,1-2H3
InChIKeyVKURNZMNYIWSFR-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.76
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
CID 12209074
4-(2-Aminoethyl)cyclohexane-1,2-dione
CID 53761104
2-(2-Aminoethyl)cyclohexan-1-one
CID 82418044
1-Amino-3-cyclohexylpropan-2-one
CID 65179628
2-(Aminomethyl)-4-(1,1-difluoropropyl)-3-methylcyclohexan-1-one
CID 135136296
7-Amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-one
CID 139888232
(4-Aminocyclohexyl)-cyclohexyl-methanone
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one (CID 116613468) is 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one is CC1CCCC(C(=O)C(C)CCCN)C1.
What is the InChIKey of 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one?
The InChIKey is VKURNZMNYIWSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-3-7-12(9-10)13(15)11(2)6-4-8-14/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one?
5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-(3-methylcyclohexyl)pentan-1-one is sourced from PubChem (CID 116613468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).