2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine

C10H14N2 — CID 70578681

IUPAC2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine
SMILESNC1=C2CNCCC=C2C=CC1
InChIInChI=1S/C10H14N2/c11-10-5-1-3-8-4-2-6-12-7-9(8)10/h1,3-4,12H,2,5-7,11H2
InChIKeyNRIMDJRLZNXXQN-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.08
Rot. Bonds

About 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine

2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine (PubChem CID 70578681) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine.

Molecular Properties

Compound Name2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine
PubChem CID70578681
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine
SMILESNC1=C2CNCCC=C2C=CC1
InChIInChI=1S/C10H14N2/c11-10-5-1-3-8-4-2-6-12-7-9(8)10/h1,3-4,12H,2,5-7,11H2
InChIKeyNRIMDJRLZNXXQN-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine?
The IUPAC name of 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine (CID 70578681) is 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine.
What is the SMILES notation for 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine?
The canonical SMILES for 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine is NC1=C2CNCCC=C2C=CC1.
What is the InChIKey of 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine?
The InChIKey is NRIMDJRLZNXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-10-5-1-3-8-4-2-6-12-7-9(8)10/h1,3-4,12H,2,5-7,11H2.
What are the key properties of 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine?
2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine has a molecular weight of 162.24 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydro-1H-2-benzazepin-9-amine is sourced from PubChem (CID 70578681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).