3-[methyl(pentan-2-yl)amino]propanenitrile

C9H18N2 — CID 10844612

IUPAC3-[methyl(pentan-2-yl)amino]propanenitrile
SMILESCCCC(C)N(C)CCC#N
InChIInChI=1S/C9H18N2/c1-4-6-9(2)11(3)8-5-7-10/h9H,4-6,8H2,1-3H3
InChIKeyRWSLZBYDFSJVMG-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds5

About 3-[methyl(pentan-2-yl)amino]propanenitrile

3-[methyl(pentan-2-yl)amino]propanenitrile (PubChem CID 10844612) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-[methyl(pentan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(pentan-2-yl)amino]propanenitrile
PubChem CID10844612
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-[methyl(pentan-2-yl)amino]propanenitrile
SMILESCCCC(C)N(C)CCC#N
InChIInChI=1S/C9H18N2/c1-4-6-9(2)11(3)8-5-7-10/h9H,4-6,8H2,1-3H3
InChIKeyRWSLZBYDFSJVMG-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propanenitrile, 3-(dibutylamino)-
CID 33155
4-Diethylaminobutyronitrile
CID 79262
3-(Dipropylamino)propiononitrile
CID 88674
4-Dipropylaminobutyronitrile
CID 98747
4-(Dibutylamino)butyronitrile
CID 52348
4-Diisopropylaminobutyronitrile
CID 83775
N,N-Diisopropylaminoacetonitrile
CID 231128
(Dibutylamino)acetonitrile
CID 87443
2-(Diethylamino)butanenitrile
CID 573911
1-(2-Cyanoethyl)-2-pipecoline
CID 574530
2-(Diethylamino)pentanenitrile
CID 140520
5-(Diethylamino)pentanenitrile
CID 559481

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pentan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl(pentan-2-yl)amino]propanenitrile (CID 10844612) is 3-[methyl(pentan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(pentan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(pentan-2-yl)amino]propanenitrile is CCCC(C)N(C)CCC#N.
What is the InChIKey of 3-[methyl(pentan-2-yl)amino]propanenitrile?
The InChIKey is RWSLZBYDFSJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-9(2)11(3)8-5-7-10/h9H,4-6,8H2,1-3H3.
What are the key properties of 3-[methyl(pentan-2-yl)amino]propanenitrile?
3-[methyl(pentan-2-yl)amino]propanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pentan-2-yl)amino]propanenitrile is sourced from PubChem (CID 10844612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).