3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one

C17H25NO — CID 116566931

IUPAC3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
SMILESCCC1CCCC(C(=O)C(CN)c2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-2-13-7-6-10-15(11-13)17(19)16(12-18)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,2,6-7,10-12,18H2,1H3
InChIKeyXWKZMTNHKBVWFQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.51
Rot. Bonds5

About 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one

3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one (PubChem CID 116566931) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
PubChem CID116566931
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one
SMILESCCC1CCCC(C(=O)C(CN)c2ccccc2)C1
InChIInChI=1S/C17H25NO/c1-2-13-7-6-10-15(11-13)17(19)16(12-18)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,2,6-7,10-12,18H2,1H3
InChIKeyXWKZMTNHKBVWFQ-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one (CID 116566931) is 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one is CCC1CCCC(C(=O)C(CN)c2ccccc2)C1.
What is the InChIKey of 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one?
The InChIKey is XWKZMTNHKBVWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-13-7-6-10-15(11-13)17(19)16(12-18)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,2,6-7,10-12,18H2,1H3.
What are the key properties of 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one?
3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethylcyclohexyl)-2-phenylpropan-1-one is sourced from PubChem (CID 116566931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).