4-amino-1-cyclohexyl-4-phenylpentan-3-one

C17H25NO — CID 114193549

IUPAC4-amino-1-cyclohexyl-4-phenylpentan-3-one
SMILESCC(N)(C(=O)CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-17(18,15-10-6-3-7-11-15)16(19)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13,18H2,1H3
InChIKeyZRWOGLFSKFLCLG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.79
Rot. Bonds5

About 4-amino-1-cyclohexyl-4-phenylpentan-3-one

4-amino-1-cyclohexyl-4-phenylpentan-3-one (PubChem CID 114193549) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-amino-1-cyclohexyl-4-phenylpentan-3-one.

Molecular Properties

Compound Name4-amino-1-cyclohexyl-4-phenylpentan-3-one
PubChem CID114193549
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-amino-1-cyclohexyl-4-phenylpentan-3-one
SMILESCC(N)(C(=O)CCC1CCCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-17(18,15-10-6-3-7-11-15)16(19)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13,18H2,1H3
InChIKeyZRWOGLFSKFLCLG-UHFFFAOYSA-N
XLogP3.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
2-amino-2-phenylhexan-3-one
CID 116563859
N-(1-amino-2-phenylpropan-2-yl)-3-cyclopentylpropanamide
CID 105060455
4-amino-1-tert-butylsulfonyl-4-phenylpentan-3-one
CID 106736327
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
CID 62488951
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexyl-4-phenylpentan-3-one?
The IUPAC name of 4-amino-1-cyclohexyl-4-phenylpentan-3-one (CID 114193549) is 4-amino-1-cyclohexyl-4-phenylpentan-3-one.
What is the SMILES notation for 4-amino-1-cyclohexyl-4-phenylpentan-3-one?
The canonical SMILES for 4-amino-1-cyclohexyl-4-phenylpentan-3-one is CC(N)(C(=O)CCC1CCCCC1)c1ccccc1.
What is the InChIKey of 4-amino-1-cyclohexyl-4-phenylpentan-3-one?
The InChIKey is ZRWOGLFSKFLCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(18,15-10-6-3-7-11-15)16(19)13-12-14-8-4-2-5-9-14/h3,6-7,10-11,14H,2,4-5,8-9,12-13,18H2,1H3.
What are the key properties of 4-amino-1-cyclohexyl-4-phenylpentan-3-one?
4-amino-1-cyclohexyl-4-phenylpentan-3-one has a molecular weight of 259.39 g/mol, XLogP of 3.79, 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-4-phenylpentan-3-one is sourced from PubChem (CID 114193549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).