4,7-dimethyl-1-benzazepin-4-amine

C12H14N2 — CID 123461897

IUPAC4,7-dimethyl-1-benzazepin-4-amine
SMILESCc1ccc2c(c1)=CC(C)(N)C=CN=2
InChIInChI=1S/C12H14N2/c1-9-3-4-11-10(7-9)8-12(2,13)5-6-14-11/h3-8H,13H2,1-2H3
InChIKeyZZYSPKYMRDUVSC-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.64
Rot. Bonds

About 4,7-dimethyl-1-benzazepin-4-amine

4,7-dimethyl-1-benzazepin-4-amine (PubChem CID 123461897) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4,7-dimethyl-1-benzazepin-4-amine.

Molecular Properties

Compound Name4,7-dimethyl-1-benzazepin-4-amine
PubChem CID123461897
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4,7-dimethyl-1-benzazepin-4-amine
SMILESCc1ccc2c(c1)=CC(C)(N)C=CN=2
InChIInChI=1S/C12H14N2/c1-9-3-4-11-10(7-9)8-12(2,13)5-6-14-11/h3-8H,13H2,1-2H3
InChIKeyZZYSPKYMRDUVSC-UHFFFAOYSA-N
XLogP0.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-benzazepin-4-amine?
The IUPAC name of 4,7-dimethyl-1-benzazepin-4-amine (CID 123461897) is 4,7-dimethyl-1-benzazepin-4-amine.
What is the SMILES notation for 4,7-dimethyl-1-benzazepin-4-amine?
The canonical SMILES for 4,7-dimethyl-1-benzazepin-4-amine is Cc1ccc2c(c1)=CC(C)(N)C=CN=2.
What is the InChIKey of 4,7-dimethyl-1-benzazepin-4-amine?
The InChIKey is ZZYSPKYMRDUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-3-4-11-10(7-9)8-12(2,13)5-6-14-11/h3-8H,13H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-benzazepin-4-amine?
4,7-dimethyl-1-benzazepin-4-amine has a molecular weight of 186.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-benzazepin-4-amine is sourced from PubChem (CID 123461897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).