1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine

C13H19N3 — CID 71228811

IUPAC1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine
SMILESNN1CCc2cc3c(cc2CC1)NCCC3
InChIInChI=1S/C13H19N3/c14-16-6-3-10-8-12-2-1-5-15-13(12)9-11(10)4-7-16/h8-9,15H,1-7,14H2
InChIKeyDHXGULULHHQCMH-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.32
Rot. Bonds

About 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine

1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine (PubChem CID 71228811) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine.

Molecular Properties

Compound Name1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine
PubChem CID71228811
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine
SMILESNN1CCc2cc3c(cc2CC1)NCCC3
InChIInChI=1S/C13H19N3/c14-16-6-3-10-8-12-2-1-5-15-13(12)9-11(10)4-7-16/h8-9,15H,1-7,14H2
InChIKeyDHXGULULHHQCMH-UHFFFAOYSA-N
XLogP1.32
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1,2,3,4-tetrahydroquinolin-7-amine
CID 82391421
3,4,6,7,8,9-hexahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 2749367
2,2-dimethyl-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),4,10,15,21-hexaene
CID 46894466
1,3,5,6,7,8-hexahydroimidazo[4,5-g]quinolin-2-one
CID 67909917
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
7-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 171080337
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 71757147
2,3,4,5-tetrahydro-1H-1-benzazepine-7,8-diol
CID 90841519
7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82384226
1-iodo-3,5,6,7-tetrahydro-2H-pyrrolo[2,3-f]indole
CID 145123011

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine?
The IUPAC name of 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine (CID 71228811) is 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine.
What is the SMILES notation for 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine?
The canonical SMILES for 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine is NN1CCc2cc3c(cc2CC1)NCCC3.
What is the InChIKey of 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine?
The InChIKey is DHXGULULHHQCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c14-16-6-3-10-8-12-2-1-5-15-13(12)9-11(10)4-7-16/h8-9,15H,1-7,14H2.
What are the key properties of 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine?
1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine has a molecular weight of 217.32 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,9,10-octahydropyrido[2,3-h][3]benzazepin-8-amine is sourced from PubChem (CID 71228811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).