2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine

C14H14N2 — CID 87914886

IUPAC2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine
SMILESNC1CCC=C2N=CC=c3ccccc3=C21
InChIInChI=1S/C14H14N2/c15-12-6-3-7-13-14(12)11-5-2-1-4-10(11)8-9-16-13/h1-2,4-5,7-9,12H,3,6,15H2
InChIKeyIYJPWKBHIWUKQB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.71
Rot. Bonds

About 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine

2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine (PubChem CID 87914886) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine.

Molecular Properties

Compound Name2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine
PubChem CID87914886
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine
SMILESNC1CCC=C2N=CC=c3ccccc3=C21
InChIInChI=1S/C14H14N2/c15-12-6-3-7-13-14(12)11-5-2-1-4-10(11)8-9-16-13/h1-2,4-5,7-9,12H,3,6,15H2
InChIKeyIYJPWKBHIWUKQB-UHFFFAOYSA-N
XLogP0.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine?
The IUPAC name of 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine (CID 87914886) is 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine.
What is the SMILES notation for 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine?
The canonical SMILES for 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine is NC1CCC=C2N=CC=c3ccccc3=C21.
What is the InChIKey of 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine?
The InChIKey is IYJPWKBHIWUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-12-6-3-7-13-14(12)11-5-2-1-4-10(11)8-9-16-13/h1-2,4-5,7-9,12H,3,6,15H2.
What are the key properties of 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine?
2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine has a molecular weight of 210.28 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-benzo[d][1]benzazepin-1-amine is sourced from PubChem (CID 87914886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).