5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine

C16H19N3 — CID 66279774

IUPAC5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine
SMILESCc1cnc(N2CCc3ccccc3CC2)c(N)c1
InChIInChI=1S/C16H19N3/c1-12-10-15(17)16(18-11-12)19-8-6-13-4-2-3-5-14(13)7-9-19/h2-5,10-11H,6-9,17H2,1H3
InChIKeyWNXLJNITMQAOJY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.58
Rot. Bonds1

About 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine

5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine (PubChem CID 66279774) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine
PubChem CID66279774
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine
SMILESCc1cnc(N2CCc3ccccc3CC2)c(N)c1
InChIInChI=1S/C16H19N3/c1-12-10-15(17)16(18-11-12)19-8-6-13-4-2-3-5-14(13)7-9-19/h2-5,10-11H,6-9,17H2,1H3
InChIKeyWNXLJNITMQAOJY-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine?
The IUPAC name of 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine (CID 66279774) is 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine?
The canonical SMILES for 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine is Cc1cnc(N2CCc3ccccc3CC2)c(N)c1.
What is the InChIKey of 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine?
The InChIKey is WNXLJNITMQAOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-12-10-15(17)16(18-11-12)19-8-6-13-4-2-3-5-14(13)7-9-19/h2-5,10-11H,6-9,17H2,1H3.
What are the key properties of 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine?
5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyridin-3-amine is sourced from PubChem (CID 66279774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).