7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine

C15H25N — CID 156637596

IUPAC7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine
SMILESCC1=CC2=C(CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C15H25N/c1-11(2)16-7-5-14-9-12(3)13(4)10-15(14)6-8-16/h9,11,13H,5-8,10H2,1-4H3
InChIKeyCIOXFCKXVJJALE-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds1

About 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine

7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine (PubChem CID 156637596) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine
PubChem CID156637596
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine
SMILESCC1=CC2=C(CCN(C(C)C)CC2)CC1C
InChIInChI=1S/C15H25N/c1-11(2)16-7-5-14-9-12(3)13(4)10-15(14)6-8-16/h9,11,13H,5-8,10H2,1-4H3
InChIKeyCIOXFCKXVJJALE-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine 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 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine?
The IUPAC name of 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine (CID 156637596) is 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine.
What is the SMILES notation for 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine?
The canonical SMILES for 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine is CC1=CC2=C(CCN(C(C)C)CC2)CC1C.
What is the InChIKey of 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine?
The InChIKey is CIOXFCKXVJJALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11(2)16-7-5-14-9-12(3)13(4)10-15(14)6-8-16/h9,11,13H,5-8,10H2,1-4H3.
What are the key properties of 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine?
7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-propan-2-yl-1,2,4,5,8,9-hexahydro-3-benzazepine is sourced from PubChem (CID 156637596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).