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

C13H20N2 — CID 83882129

IUPAC(3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine
SMILESCc1ccc2c(c1)CC(CN)N(C)CC2
InChIInChI=1S/C13H20N2/c1-10-3-4-11-5-6-15(2)13(9-14)8-12(11)7-10/h3-4,7,13H,5-6,8-9,14H2,1-2H3
InChIKeyJUBAZYBGKMWZAE-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.35
Rot. Bonds1

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

(3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine (PubChem CID 83882129) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine.

Molecular Properties

Compound Name(3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine
PubChem CID83882129
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine
SMILESCc1ccc2c(c1)CC(CN)N(C)CC2
InChIInChI=1S/C13H20N2/c1-10-3-4-11-5-6-15(2)13(9-14)8-12(11)7-10/h3-4,7,13H,5-6,8-9,14H2,1-2H3
InChIKeyJUBAZYBGKMWZAE-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine?
The IUPAC name of (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine (CID 83882129) is (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine.
What is the SMILES notation for (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine?
The canonical SMILES for (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine is Cc1ccc2c(c1)CC(CN)N(C)CC2.
What is the InChIKey of (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine?
The InChIKey is JUBAZYBGKMWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-4-11-5-6-15(2)13(9-14)8-12(11)7-10/h3-4,7,13H,5-6,8-9,14H2,1-2H3.
What are the key properties of (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine?
(3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl)methanamine is sourced from PubChem (CID 83882129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).