Cyclopenta[h][2]benzazepine-1,3-diamine

Name: Cyclopenta[h][2]benzazepine-1,3-diamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₁N₃ — CID 172544503

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACcyclopenta[h][2]benzazepine-1,3-diamine

SMILESNc1ccc2cc3cccc3cc2c(N)n1

InChIInChI=1S/C13H11N3/c14-12-5-4-10-6-8-2-1-3-9(8)7-11(10)13(15)16-12/h1-7H,(H4,14,15,16)

InChIKeyBVYAPAJQWXTHNA-UHFFFAOYSA-N

MW209.25 g/mol

LogP2.55

Rot. Bonds

About Cyclopenta[h][2]benzazepine-1,3-diamine

Cyclopenta[h][2]benzazepine-1,3-diamine (PubChem CID 172544503) has the molecular formula C₁₃H₁₁N₃ and a molecular weight of 209.25 g/mol. Its IUPAC name is cyclopenta[h][2]benzazepine-1,3-diamine.

Molecular Properties

Compound Name	Cyclopenta[h][2]benzazepine-1,3-diamine
PubChem CID	172544503
Molecular Formula	C₁₃H₁₁N₃
Molecular Weight	209.25 g/mol
Exact Mass	209.10
IUPAC Name	cyclopenta[h][2]benzazepine-1,3-diamine
SMILES	Nc1ccc2cc3cccc3cc2c(N)n1
InChI	InChI=1S/C13H11N3/c14-12-5-4-10-6-8-2-1-3-9(8)7-11(10)13(15)16-12/h1-7H,(H4,14,15,16)
InChIKey	BVYAPAJQWXTHNA-UHFFFAOYSA-N
XLogP	2.55
TPSA	64.93 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.25
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Cyclopenta[h][2]benzazepine-1,3-diamine?

The IUPAC name of Cyclopenta[h][2]benzazepine-1,3-diamine (CID 172544503) is cyclopenta[h][2]benzazepine-1,3-diamine.

What is the SMILES notation for Cyclopenta[h][2]benzazepine-1,3-diamine?

The canonical SMILES for Cyclopenta[h][2]benzazepine-1,3-diamine is Nc1ccc2cc3cccc3cc2c(N)n1.

What is the InChIKey of Cyclopenta[h][2]benzazepine-1,3-diamine?

The InChIKey is BVYAPAJQWXTHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-12-5-4-10-6-8-2-1-3-9(8)7-11(10)13(15)16-12/h1-7H,(H4,14,15,16).

What are the key properties of Cyclopenta[h][2]benzazepine-1,3-diamine?

Cyclopenta[h][2]benzazepine-1,3-diamine has a molecular weight of 209.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopenta[h][2]benzazepine-1,3-diamine is sourced from PubChem (CID 172544503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 172544503 — identifiers, structure, computed properties (public domain)

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