3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile

C9H15N3 — CID 79468343

IUPAC3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile
SMILESN#CCCN(C1CC1)C1CNC1
InChIInChI=1S/C9H15N3/c10-4-1-5-12(8-2-3-8)9-6-11-7-9/h8-9,11H,1-3,5-7H2
InChIKeyCZPXNTDYPXKQEF-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.34
Rot. Bonds4

About 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile

3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile (PubChem CID 79468343) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile
PubChem CID79468343
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile
SMILESN#CCCN(C1CC1)C1CNC1
InChIInChI=1S/C9H15N3/c10-4-1-5-12(8-2-3-8)9-6-11-7-9/h8-9,11H,1-3,5-7H2
InChIKeyCZPXNTDYPXKQEF-UHFFFAOYSA-N
XLogP0.34
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile?
The IUPAC name of 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile (CID 79468343) is 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile.
What is the SMILES notation for 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile?
The canonical SMILES for 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile is N#CCCN(C1CC1)C1CNC1.
What is the InChIKey of 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile?
The InChIKey is CZPXNTDYPXKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-4-1-5-12(8-2-3-8)9-6-11-7-9/h8-9,11H,1-3,5-7H2.
What are the key properties of 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile?
3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile has a molecular weight of 165.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[azetidin-3-yl(cyclopropyl)amino]propanenitrile is sourced from PubChem (CID 79468343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).