3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine

C18H23N3 — CID 103182427

IUPAC3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine
SMILESCc1cnc(CN2CCc3ccccc3CC2)c(C)c1N
InChIInChI=1S/C18H23N3/c1-13-11-20-17(14(2)18(13)19)12-21-9-7-15-5-3-4-6-16(15)8-10-21/h3-6,11H,7-10,12H2,1-2H3,(H2,19,20)
InChIKeySTAXSTYIOSHKSI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.88
Rot. Bonds2

About 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine

3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine (PubChem CID 103182427) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine
PubChem CID103182427
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine
SMILESCc1cnc(CN2CCc3ccccc3CC2)c(C)c1N
InChIInChI=1S/C18H23N3/c1-13-11-20-17(14(2)18(13)19)12-21-9-7-15-5-3-4-6-16(15)8-10-21/h3-6,11H,7-10,12H2,1-2H3,(H2,19,20)
InChIKeySTAXSTYIOSHKSI-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine (CID 103182427) is 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine is Cc1cnc(CN2CCc3ccccc3CC2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine?
The InChIKey is STAXSTYIOSHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-11-20-17(14(2)18(13)19)12-21-9-7-15-5-3-4-6-16(15)8-10-21/h3-6,11H,7-10,12H2,1-2H3,(H2,19,20).
What are the key properties of 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine?
3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 103182427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).