3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one

C15H20N2O — CID 23825460

IUPAC3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one
SMILESCC(N)CNC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c1-11(16)10-17-14-7-13(8-15(18)9-14)12-5-3-2-4-6-12/h2-6,9,11,13,17H,7-8,10,16H2,1H3
InChIKeyQGKDFFNYAWQSFV-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.95
Rot. Bonds4

About 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one

3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one (PubChem CID 23825460) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one
PubChem CID23825460
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one
SMILESCC(N)CNC1=CC(=O)CC(c2ccccc2)C1
InChIInChI=1S/C15H20N2O/c1-11(16)10-17-14-7-13(8-15(18)9-14)12-5-3-2-4-6-12/h2-6,9,11,13,17H,7-8,10,16H2,1H3
InChIKeyQGKDFFNYAWQSFV-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one?
The IUPAC name of 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one (CID 23825460) is 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one?
The canonical SMILES for 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one is CC(N)CNC1=CC(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one?
The InChIKey is QGKDFFNYAWQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(16)10-17-14-7-13(8-15(18)9-14)12-5-3-2-4-6-12/h2-6,9,11,13,17H,7-8,10,16H2,1H3.
What are the key properties of 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one?
3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one has a molecular weight of 244.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropylamino)-5-phenylcyclohex-2-en-1-one is sourced from PubChem (CID 23825460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).