(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine

C12H18N2 — CID 82403784

IUPAC(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)CCCN2
InChIInChI=1S/C12H18N2/c1-9-4-5-12-11(7-9)10(8-13)3-2-6-14-12/h4-5,7,10,14H,2-3,6,8,13H2,1H3
InChIKeyDKJOLAXVVVFMHG-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.24
Rot. Bonds1

About (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine

(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine (PubChem CID 82403784) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine.

Molecular Properties

Compound Name(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine
PubChem CID82403784
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)CCCN2
InChIInChI=1S/C12H18N2/c1-9-4-5-12-11(7-9)10(8-13)3-2-6-14-12/h4-5,7,10,14H,2-3,6,8,13H2,1H3
InChIKeyDKJOLAXVVVFMHG-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine?
The IUPAC name of (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine (CID 82403784) is (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine.
What is the SMILES notation for (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine?
The canonical SMILES for (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine is Cc1ccc2c(c1)C(CN)CCCN2.
What is the InChIKey of (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine?
The InChIKey is DKJOLAXVVVFMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-5-12-11(7-9)10(8-13)3-2-6-14-12/h4-5,7,10,14H,2-3,6,8,13H2,1H3.
What are the key properties of (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine?
(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine is sourced from PubChem (CID 82403784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).