1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one

C14H24N2O — CID 15493

IUPAC1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one
SMILESCC1=CC(C)C(=O)N(CCCN(C)C)C(C)=C1
InChIInChI=1S/C14H24N2O/c1-11-9-12(2)14(17)16(13(3)10-11)8-6-7-15(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyMJDPXTVTSLCLLC-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one

1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one (PubChem CID 15493) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one
PubChem CID15493
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one
SMILESCC1=CC(C)C(=O)N(CCCN(C)C)C(C)=C1
InChIInChI=1S/C14H24N2O/c1-11-9-12(2)14(17)16(13(3)10-11)8-6-7-15(4)5/h9-10,12H,6-8H2,1-5H3
InChIKeyMJDPXTVTSLCLLC-UHFFFAOYSA-N
XLogP2.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one (CID 15493) is 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one is CC1=CC(C)C(=O)N(CCCN(C)C)C(C)=C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one?
The InChIKey is MJDPXTVTSLCLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-9-12(2)14(17)16(13(3)10-11)8-6-7-15(4)5/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one?
1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3,5,7-trimethyl-3H-azepin-2-one is sourced from PubChem (CID 15493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).