4-amino-1-cyclohexyl-5-methylhexan-2-one

C13H25NO — CID 116606337

IUPAC4-amino-1-cyclohexyl-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-10(2)13(14)9-12(15)8-11-6-4-3-5-7-11/h10-11,13H,3-9,14H2,1-2H3
InChIKeyJDHCFBVTWPXBHE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds5

About 4-amino-1-cyclohexyl-5-methylhexan-2-one

4-amino-1-cyclohexyl-5-methylhexan-2-one (PubChem CID 116606337) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-amino-1-cyclohexyl-5-methylhexan-2-one.

Molecular Properties

Compound Name4-amino-1-cyclohexyl-5-methylhexan-2-one
PubChem CID116606337
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-amino-1-cyclohexyl-5-methylhexan-2-one
SMILESCC(C)C(N)CC(=O)CC1CCCCC1
InChIInChI=1S/C13H25NO/c1-10(2)13(14)9-12(15)8-11-6-4-3-5-7-11/h10-11,13H,3-9,14H2,1-2H3
InChIKeyJDHCFBVTWPXBHE-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate
CID 165483333
N-(1-aminopropan-2-yl)-2-cycloheptyl-N-methylacetamide
CID 115737376
1-cyclohexyl-4-piperidin-3-ylpentan-2-one
CID 116594382
N-(1-cyanopropan-2-yl)-2-cyclohexyl-N-methylacetamide
CID 55220083
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
2-[(2-cyclohexylacetyl)-methylamino]propanoic acid
CID 62627808
1-cyclohexyl-9-methyldecan-2-one
CID 57253495
cyclohexylmethyl 2-amino-3-methylbutanoate
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1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexyl-5-methylhexan-2-one?
The IUPAC name of 4-amino-1-cyclohexyl-5-methylhexan-2-one (CID 116606337) is 4-amino-1-cyclohexyl-5-methylhexan-2-one.
What is the SMILES notation for 4-amino-1-cyclohexyl-5-methylhexan-2-one?
The canonical SMILES for 4-amino-1-cyclohexyl-5-methylhexan-2-one is CC(C)C(N)CC(=O)CC1CCCCC1.
What is the InChIKey of 4-amino-1-cyclohexyl-5-methylhexan-2-one?
The InChIKey is JDHCFBVTWPXBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)13(14)9-12(15)8-11-6-4-3-5-7-11/h10-11,13H,3-9,14H2,1-2H3.
What are the key properties of 4-amino-1-cyclohexyl-5-methylhexan-2-one?
4-amino-1-cyclohexyl-5-methylhexan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohexyl-5-methylhexan-2-one is sourced from PubChem (CID 116606337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).