azane;2,3,4,5-tetrahydro-1H-3-benzazepine

C10H16N2 — CID 135204749

IUPACazane;2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESN.c1ccc2c(c1)CCNCC2
InChIInChI=1S/C10H13N.H3N/c1-2-4-10-6-8-11-7-5-9(10)3-1;/h1-4,11H,5-8H2;1H3
InChIKeyBZJUSVJZJRYKKY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.54
Rot. Bonds

About azane;2,3,4,5-tetrahydro-1H-3-benzazepine

azane;2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 135204749) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is azane;2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Nameazane;2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID135204749
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameazane;2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESN.c1ccc2c(c1)CCNCC2
InChIInChI=1S/C10H13N.H3N/c1-2-4-10-6-8-11-7-5-9(10)3-1;/h1-4,11H,5-8H2;1H3
InChIKeyBZJUSVJZJRYKKY-UHFFFAOYSA-N
XLogP1.54
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azane;2,3,4,5-tetrahydro-1H-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 azane;2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of azane;2,3,4,5-tetrahydro-1H-3-benzazepine (CID 135204749) is azane;2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for azane;2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for azane;2,3,4,5-tetrahydro-1H-3-benzazepine is N.c1ccc2c(c1)CCNCC2.
What is the InChIKey of azane;2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is BZJUSVJZJRYKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.H3N/c1-2-4-10-6-8-11-7-5-9(10)3-1;/h1-4,11H,5-8H2;1H3.
What are the key properties of azane;2,3,4,5-tetrahydro-1H-3-benzazepine?
azane;2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 164.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 135204749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).