7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine

C11H16N2 — CID 143158039

IUPAC7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine
SMILESCC1CCC2=C(C=CCN=C2N)C1
InChIInChI=1S/C11H16N2/c1-8-4-5-10-9(7-8)3-2-6-13-11(10)12/h2-3,8H,4-7H2,1H3,(H2,12,13)
InChIKeyBIGKCRAXZOMYDI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.03
Rot. Bonds

About 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine

7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine (PubChem CID 143158039) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine.

Molecular Properties

Compound Name7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine
PubChem CID143158039
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine
SMILESCC1CCC2=C(C=CCN=C2N)C1
InChIInChI=1S/C11H16N2/c1-8-4-5-10-9(7-8)3-2-6-13-11(10)12/h2-3,8H,4-7H2,1H3,(H2,12,13)
InChIKeyBIGKCRAXZOMYDI-UHFFFAOYSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine?
The IUPAC name of 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine (CID 143158039) is 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine.
What is the SMILES notation for 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine?
The canonical SMILES for 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine is CC1CCC2=C(C=CCN=C2N)C1.
What is the InChIKey of 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine?
The InChIKey is BIGKCRAXZOMYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-4-5-10-9(7-8)3-2-6-13-11(10)12/h2-3,8H,4-7H2,1H3,(H2,12,13).
What are the key properties of 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine?
7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine is sourced from PubChem (CID 143158039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).