3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile

C9H15N3 — CID 15076035

IUPAC3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(CCC#N)CCC#N
InChIInChI=1S/C9H15N3/c1-9(2)12(7-3-5-10)8-4-6-11/h9H,3-4,7-8H2,1-2H3
InChIKeyPUAMREYMBHDAJT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds5

About 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile

3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile (PubChem CID 15076035) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
PubChem CID15076035
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(CCC#N)CCC#N
InChIInChI=1S/C9H15N3/c1-9(2)12(7-3-5-10)8-4-6-11/h9H,3-4,7-8H2,1-2H3
InChIKeyPUAMREYMBHDAJT-UHFFFAOYSA-N
XLogP1.52
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methylbut-3-enyl(propan-2-yl)amino]propanenitrile
CID 114449032
3-[3-oxobutyl(propan-2-yl)amino]propanenitrile
CID 62036972
3-[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]propanenitrile
CID 103734410
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
3-[2-oxopropyl(propan-2-yl)amino]propanenitrile
CID 62036211
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709737
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
3-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]propanenitrile
CID 65013729
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
CID 55207213
3-[2-(2-oxo-1-pyridinyl)ethyl-propan-2-ylamino]propanenitrile
CID 79004000
3-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]propanenitrile
CID 65317902

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile (CID 15076035) is 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile is CC(C)N(CCC#N)CCC#N.
What is the InChIKey of 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile?
The InChIKey is PUAMREYMBHDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-9(2)12(7-3-5-10)8-4-6-11/h9H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile?
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile has a molecular weight of 165.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile is sourced from PubChem (CID 15076035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).