(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine

C24H31N4P — CID 166878360

IUPAC(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine
SMILESC/C(N)=C1/NCCC(Nc2cccc(C)c2P)c2cc(C3=CCNCC3)ccc21
InChIInChI=1S/C24H31N4P/c1-15-4-3-5-22(24(15)29)28-21-10-13-27-23(16(2)25)19-7-6-18(14-20(19)21)17-8-11-26-12-9-17/h3-8,14,21,26-28H,9-13,25,29H2,1-2H3/b23-16-
InChIKeyNESTVMHCFXBZQM-KQWNVCNZSA-N
MW406.51 g/mol
LogP3.67
Rot. Bonds3

About (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine

(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine (PubChem CID 166878360) has the molecular formula C24H31N4P and a molecular weight of 406.51 g/mol. Its IUPAC name is (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine.

Molecular Properties

Compound Name(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine
PubChem CID166878360
Molecular FormulaC24H31N4P
Molecular Weight406.51 g/mol
Exact Mass406.23
IUPAC Name(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine
SMILESC/C(N)=C1/NCCC(Nc2cccc(C)c2P)c2cc(C3=CCNCC3)ccc21
InChIInChI=1S/C24H31N4P/c1-15-4-3-5-22(24(15)29)28-21-10-13-27-23(16(2)25)19-7-6-18(14-20(19)21)17-8-11-26-12-9-17/h3-8,14,21,26-28H,9-13,25,29H2,1-2H3/b23-16-
InChIKeyNESTVMHCFXBZQM-KQWNVCNZSA-N
XLogP3.67
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine 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 (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine?
The IUPAC name of (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine (CID 166878360) is (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine.
What is the SMILES notation for (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine?
The canonical SMILES for (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine is C/C(N)=C1/NCCC(Nc2cccc(C)c2P)c2cc(C3=CCNCC3)ccc21.
What is the InChIKey of (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine?
The InChIKey is NESTVMHCFXBZQM-KQWNVCNZSA-N. The full InChI is InChI=1S/C24H31N4P/c1-15-4-3-5-22(24(15)29)28-21-10-13-27-23(16(2)25)19-7-6-18(14-20(19)21)17-8-11-26-12-9-17/h3-8,14,21,26-28H,9-13,25,29H2,1-2H3/b23-16-.
What are the key properties of (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine?
(1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine has a molecular weight of 406.51 g/mol, XLogP of 3.67, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-aminoethylidene)-N-(3-methyl-2-phosphanylphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)-2,3,4,5-tetrahydro-2-benzazepin-5-amine is sourced from PubChem (CID 166878360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).