N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine

C17H21N3 — CID 63152776

IUPACN-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine
SMILESCNCc1cc(N2CCCc3ccccc3C2)ccn1
InChIInChI=1S/C17H21N3/c1-18-12-16-11-17(8-9-19-16)20-10-4-7-14-5-2-3-6-15(14)13-20/h2-3,5-6,8-9,11,18H,4,7,10,12-13H2,1H3
InChIKeyYWTDFLZFKMJORM-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.75
Rot. Bonds3

About N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine

N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine (PubChem CID 63152776) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine
PubChem CID63152776
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine
SMILESCNCc1cc(N2CCCc3ccccc3C2)ccn1
InChIInChI=1S/C17H21N3/c1-18-12-16-11-17(8-9-19-16)20-10-4-7-14-5-2-3-6-15(14)13-20/h2-3,5-6,8-9,11,18H,4,7,10,12-13H2,1H3
InChIKeyYWTDFLZFKMJORM-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine (CID 63152776) is N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine is CNCc1cc(N2CCCc3ccccc3C2)ccn1.
What is the InChIKey of N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine?
The InChIKey is YWTDFLZFKMJORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-12-16-11-17(8-9-19-16)20-10-4-7-14-5-2-3-6-15(14)13-20/h2-3,5-6,8-9,11,18H,4,7,10,12-13H2,1H3.
What are the key properties of N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine?
N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]methanamine is sourced from PubChem (CID 63152776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).