1-(3-amino-3-phenylpropyl)azepane-2,7-dione

C15H20N2O2 — CID 80507605

IUPAC1-(3-amino-3-phenylpropyl)azepane-2,7-dione
SMILESNC(CCN1C(=O)CCCCC1=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-13(12-6-2-1-3-7-12)10-11-17-14(18)8-4-5-9-15(17)19/h1-3,6-7,13H,4-5,8-11,16H2
InChIKeyJQQHIMAUYKHBHE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds4

About 1-(3-amino-3-phenylpropyl)azepane-2,7-dione

1-(3-amino-3-phenylpropyl)azepane-2,7-dione (PubChem CID 80507605) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-amino-3-phenylpropyl)azepane-2,7-dione.

Molecular Properties

Compound Name1-(3-amino-3-phenylpropyl)azepane-2,7-dione
PubChem CID80507605
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-amino-3-phenylpropyl)azepane-2,7-dione
SMILESNC(CCN1C(=O)CCCCC1=O)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-13(12-6-2-1-3-7-12)10-11-17-14(18)8-4-5-9-15(17)19/h1-3,6-7,13H,4-5,8-11,16H2
InChIKeyJQQHIMAUYKHBHE-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-3-phenylpropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 80507363
1-(2-phenylsulfanylethyl)azepane-2,7-dione
CID 112731273
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
1-(3-bromo-2-phenylpropyl)piperidine-2,6-dione
CID 65014543
3-(cyclohexen-1-yl)-1-phenylpropan-1-amine
CID 173292845
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982
1-(3-hydroxy-3-phenylpropyl)azocan-2-one
CID 116693124
3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-phenylpropan-1-amine
CID 114410803
N-(2-amino-2-phenylethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 119528362
1-(3-amino-2-phenylpropyl)piperidin-2-one
CID 64538651
1-(2-amino-2-phenylethyl)pyrrole-2,5-dione
CID 63120892
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-phenylpropyl)azepane-2,7-dione?
The IUPAC name of 1-(3-amino-3-phenylpropyl)azepane-2,7-dione (CID 80507605) is 1-(3-amino-3-phenylpropyl)azepane-2,7-dione.
What is the SMILES notation for 1-(3-amino-3-phenylpropyl)azepane-2,7-dione?
The canonical SMILES for 1-(3-amino-3-phenylpropyl)azepane-2,7-dione is NC(CCN1C(=O)CCCCC1=O)c1ccccc1.
What is the InChIKey of 1-(3-amino-3-phenylpropyl)azepane-2,7-dione?
The InChIKey is JQQHIMAUYKHBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13(12-6-2-1-3-7-12)10-11-17-14(18)8-4-5-9-15(17)19/h1-3,6-7,13H,4-5,8-11,16H2.
What are the key properties of 1-(3-amino-3-phenylpropyl)azepane-2,7-dione?
1-(3-amino-3-phenylpropyl)azepane-2,7-dione has a molecular weight of 260.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-phenylpropyl)azepane-2,7-dione is sourced from PubChem (CID 80507605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).