N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine

C22H29N3 — CID 19820500

IUPACN-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
SMILESc1ccc(C(CCN/C2=N/CCCCCCN2)c2ccccc2)cc1
InChIInChI=1S/C22H29N3/c1-2-10-17-24-22(23-16-9-1)25-18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H2,23,24,25)
InChIKeyZHTMSCIJGWZTAD-UHFFFAOYSA-N
MW335.50 g/mol
LogP4.32
Rot. Bonds5

About N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine

N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine (PubChem CID 19820500) has the molecular formula C22H29N3 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
PubChem CID19820500
Molecular FormulaC22H29N3
Molecular Weight335.50 g/mol
Exact Mass335.24
IUPAC NameN-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine
SMILESc1ccc(C(CCN/C2=N/CCCCCCN2)c2ccccc2)cc1
InChIInChI=1S/C22H29N3/c1-2-10-17-24-22(23-16-9-1)25-18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H2,23,24,25)
InChIKeyZHTMSCIJGWZTAD-UHFFFAOYSA-N
XLogP4.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-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 N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine (CID 19820500) is N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine is c1ccc(C(CCN/C2=N/CCCCCCN2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine?
The InChIKey is ZHTMSCIJGWZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-10-17-24-22(23-16-9-1)25-18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H2,23,24,25).
What are the key properties of N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine?
N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine has a molecular weight of 335.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-amine is sourced from PubChem (CID 19820500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).