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

C16H19N3 — CID 104740064

IUPAC2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine
SMILESNc1cccnc1CN1CCCc2ccccc2C1
InChIInChI=1S/C16H19N3/c17-15-8-3-9-18-16(15)12-19-10-4-7-13-5-1-2-6-14(13)11-19/h1-3,5-6,8-9H,4,7,10-12,17H2
InChIKeyCNPHPYSENWMITC-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.61
Rot. Bonds2

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

2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine (PubChem CID 104740064) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine
PubChem CID104740064
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine
SMILESNc1cccnc1CN1CCCc2ccccc2C1
InChIInChI=1S/C16H19N3/c17-15-8-3-9-18-16(15)12-19-10-4-7-13-5-1-2-6-14(13)11-19/h1-3,5-6,8-9H,4,7,10-12,17H2
InChIKeyCNPHPYSENWMITC-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine (CID 104740064) is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine is Nc1cccnc1CN1CCCc2ccccc2C1.
What is the InChIKey of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine?
The InChIKey is CNPHPYSENWMITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-15-8-3-9-18-16(15)12-19-10-4-7-13-5-1-2-6-14(13)11-19/h1-3,5-6,8-9H,4,7,10-12,17H2.
What are the key properties of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine?
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine has a molecular weight of 253.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 104740064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).