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

C13H11N3 — CID 172544503

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 Namecyclopenta[h][2]benzazepine-1,3-diamine
PubChem CID172544503
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Namecyclopenta[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
XLogP2.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydroindol-4-id-2-amine;tungsten
CID 58896515
3-Imino-5,6-dihydroisoindol-1-amine
CID 68346469
6,7-Dihydroisoquinolin-1-amine
CID 90254144
3,4-Di(ethylidene)pyridin-2-amine
CID 90883572
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridin-2-amine
CID 129060105
(3E,4E)-3-ethylidene-5-methylidene-4-prop-2-enylidenepyrrol-2-amine
CID 142219483
(3E)-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-4H-pyridin-2-amine
CID 144648561
Cyclohepta[g]indol-2-amine
CID 153789055
6,6-Dimethylcyclohepta[c]pyridin-1-amine
CID 166537564
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyridin-2-amine
CID 166893921
7,11-Diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine
CID 172543727
4-Azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,5-diamine
CID 172543782

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).