3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H21N3O2 — CID 103314527

IUPAC3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNCC1COCCN1C1CCc2ccccc2NC1=O
InChIInChI=1S/C15H21N3O2/c16-9-12-10-20-8-7-18(12)14-6-5-11-3-1-2-4-13(11)17-15(14)19/h1-4,12,14H,5-10,16H2,(H,17,19)
InChIKeyNHZQDNAKTOEJPY-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.60
Rot. Bonds2

About 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103314527) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103314527
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESNCC1COCCN1C1CCc2ccccc2NC1=O
InChIInChI=1S/C15H21N3O2/c16-9-12-10-20-8-7-18(12)14-6-5-11-3-1-2-4-13(11)17-15(14)19/h1-4,12,14H,5-10,16H2,(H,17,19)
InChIKeyNHZQDNAKTOEJPY-UHFFFAOYSA-N
XLogP0.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103314527) is 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is NCC1COCCN1C1CCc2ccccc2NC1=O.
What is the InChIKey of 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is NHZQDNAKTOEJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-9-12-10-20-8-7-18(12)14-6-5-11-3-1-2-4-13(11)17-15(14)19/h1-4,12,14H,5-10,16H2,(H,17,19).
What are the key properties of 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)morpholin-4-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103314527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).