3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine

C12H18N2 — CID 91531518

IUPAC3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
SMILESCC1CC(C)c2cc(N)ccc2CN1
InChIInChI=1S/C12H18N2/c1-8-5-9(2)14-7-10-3-4-11(13)6-12(8)10/h3-4,6,8-9,14H,5,7,13H2,1-2H3
InChIKeyMZGDFEDHOJICSA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.25
Rot. Bonds

About 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine

3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine (PubChem CID 91531518) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
PubChem CID91531518
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine
SMILESCC1CC(C)c2cc(N)ccc2CN1
InChIInChI=1S/C12H18N2/c1-8-5-9(2)14-7-10-3-4-11(13)6-12(8)10/h3-4,6,8-9,14H,5,7,13H2,1-2H3
InChIKeyMZGDFEDHOJICSA-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
The IUPAC name of 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine (CID 91531518) is 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine.
What is the SMILES notation for 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
The canonical SMILES for 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine is CC1CC(C)c2cc(N)ccc2CN1.
What is the InChIKey of 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
The InChIKey is MZGDFEDHOJICSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-5-9(2)14-7-10-3-4-11(13)6-12(8)10/h3-4,6,8-9,14H,5,7,13H2,1-2H3.
What are the key properties of 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine?
3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine has a molecular weight of 190.29 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepin-7-amine is sourced from PubChem (CID 91531518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).