2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine

C17H27N — CID 118055205

IUPAC2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCC(C)c1ccc2c(c1)C(C(C)C)CCN(C)C2
InChIInChI=1S/C17H27N/c1-12(2)14-6-7-15-11-18(5)9-8-16(13(3)4)17(15)10-14/h6-7,10,12-13,16H,8-9,11H2,1-5H3
InChIKeyBINVJPRAMDFDMG-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.39
Rot. Bonds2

About 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine

2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 118055205) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID118055205
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCC(C)c1ccc2c(c1)C(C(C)C)CCN(C)C2
InChIInChI=1S/C17H27N/c1-12(2)14-6-7-15-11-18(5)9-8-16(13(3)4)17(15)10-14/h6-7,10,12-13,16H,8-9,11H2,1-5H3
InChIKeyBINVJPRAMDFDMG-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-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 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 118055205) is 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine is CC(C)c1ccc2c(c1)C(C(C)C)CCN(C)C2.
What is the InChIKey of 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is BINVJPRAMDFDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-6-7-15-11-18(5)9-8-16(13(3)4)17(15)10-14/h6-7,10,12-13,16H,8-9,11H2,1-5H3.
What are the key properties of 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine?
2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 245.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-di(propan-2-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 118055205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).