2-[(1-ethylazetidin-3-yl)amino]propanenitrile

C8H15N3 — CID 130690180

IUPAC2-[(1-ethylazetidin-3-yl)amino]propanenitrile
SMILESCCN1CC(NC(C)C#N)C1
InChIInChI=1S/C8H15N3/c1-3-11-5-8(6-11)10-7(2)4-9/h7-8,10H,3,5-6H2,1-2H3
InChIKeyGGTIQRIHDAGMAW-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.19
Rot. Bonds3

About 2-[(1-ethylazetidin-3-yl)amino]propanenitrile

2-[(1-ethylazetidin-3-yl)amino]propanenitrile (PubChem CID 130690180) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-[(1-ethylazetidin-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(1-ethylazetidin-3-yl)amino]propanenitrile
PubChem CID130690180
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-[(1-ethylazetidin-3-yl)amino]propanenitrile
SMILESCCN1CC(NC(C)C#N)C1
InChIInChI=1S/C8H15N3/c1-3-11-5-8(6-11)10-7(2)4-9/h7-8,10H,3,5-6H2,1-2H3
InChIKeyGGTIQRIHDAGMAW-UHFFFAOYSA-N
XLogP0.19
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylazetidin-3-yl)amino]propanenitrile?
The IUPAC name of 2-[(1-ethylazetidin-3-yl)amino]propanenitrile (CID 130690180) is 2-[(1-ethylazetidin-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(1-ethylazetidin-3-yl)amino]propanenitrile?
The canonical SMILES for 2-[(1-ethylazetidin-3-yl)amino]propanenitrile is CCN1CC(NC(C)C#N)C1.
What is the InChIKey of 2-[(1-ethylazetidin-3-yl)amino]propanenitrile?
The InChIKey is GGTIQRIHDAGMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-11-5-8(6-11)10-7(2)4-9/h7-8,10H,3,5-6H2,1-2H3.
What are the key properties of 2-[(1-ethylazetidin-3-yl)amino]propanenitrile?
2-[(1-ethylazetidin-3-yl)amino]propanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylazetidin-3-yl)amino]propanenitrile is sourced from PubChem (CID 130690180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).