2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile

C18H24N4 — CID 118292433

IUPAC2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CC(CNC3CC3c3ccccc3)C2)CNC1
InChIInChI=1S/C18H24N4/c19-7-6-18(12-20-13-18)22-10-14(11-22)9-21-17-8-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,20-21H,6,8-13H2
InChIKeyUXIYDZIOOUEJGJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.32
Rot. Bonds6

About 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile

2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile (PubChem CID 118292433) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile
PubChem CID118292433
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile
SMILESN#CCC1(N2CC(CNC3CC3c3ccccc3)C2)CNC1
InChIInChI=1S/C18H24N4/c19-7-6-18(12-20-13-18)22-10-14(11-22)9-21-17-8-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,20-21H,6,8-13H2
InChIKeyUXIYDZIOOUEJGJ-UHFFFAOYSA-N
XLogP1.32
TPSA51.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile 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 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile?
The IUPAC name of 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile (CID 118292433) is 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile?
The canonical SMILES for 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile is N#CCC1(N2CC(CNC3CC3c3ccccc3)C2)CNC1.
What is the InChIKey of 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile?
The InChIKey is UXIYDZIOOUEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c19-7-6-18(12-20-13-18)22-10-14(11-22)9-21-17-8-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,20-21H,6,8-13H2.
What are the key properties of 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile?
2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile has a molecular weight of 296.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[(2-phenylcyclopropyl)amino]methyl]azetidin-1-yl]azetidin-3-yl]acetonitrile is sourced from PubChem (CID 118292433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).