4,5-dihydro-3H-1-benzazepin-2-amine

C10H12N2 — CID 788174

IUPAC4,5-dihydro-3H-1-benzazepin-2-amine
SMILESNC1=Nc2ccccc2CCC1
InChIInChI=1S/C10H12N2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6H,3,5,7H2,(H2,11,12)
InChIKeyJEGIJAOHKFCUAZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.01
Rot. Bonds

About 4,5-dihydro-3H-1-benzazepin-2-amine

4,5-dihydro-3H-1-benzazepin-2-amine (PubChem CID 788174) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4,5-dihydro-3H-1-benzazepin-2-amine.

Molecular Properties

Compound Name4,5-dihydro-3H-1-benzazepin-2-amine
PubChem CID788174
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4,5-dihydro-3H-1-benzazepin-2-amine
SMILESNC1=Nc2ccccc2CCC1
InChIInChI=1S/C10H12N2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6H,3,5,7H2,(H2,11,12)
InChIKeyJEGIJAOHKFCUAZ-UHFFFAOYSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-1-benzazepin-2-amine?
The IUPAC name of 4,5-dihydro-3H-1-benzazepin-2-amine (CID 788174) is 4,5-dihydro-3H-1-benzazepin-2-amine.
What is the SMILES notation for 4,5-dihydro-3H-1-benzazepin-2-amine?
The canonical SMILES for 4,5-dihydro-3H-1-benzazepin-2-amine is NC1=Nc2ccccc2CCC1.
What is the InChIKey of 4,5-dihydro-3H-1-benzazepin-2-amine?
The InChIKey is JEGIJAOHKFCUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c11-10-7-3-5-8-4-1-2-6-9(8)12-10/h1-2,4,6H,3,5,7H2,(H2,11,12).
What are the key properties of 4,5-dihydro-3H-1-benzazepin-2-amine?
4,5-dihydro-3H-1-benzazepin-2-amine has a molecular weight of 160.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-1-benzazepin-2-amine is sourced from PubChem (CID 788174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).