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

C8H16N2 — CID 43367383

IUPAC2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)10(4)6-8(3)5-9/h7-8H,6H2,1-4H3
InChIKeyKRUKYQBUYSSBCW-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.49
Rot. Bonds3

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

2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile (PubChem CID 43367383) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
PubChem CID43367383
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile
SMILESCC(C#N)CN(C)C(C)C
InChIInChI=1S/C8H16N2/c1-7(2)10(4)6-8(3)5-9/h7-8H,6H2,1-4H3
InChIKeyKRUKYQBUYSSBCW-UHFFFAOYSA-N
XLogP1.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dipropylamino)propiononitrile
CID 88674
Diisobutylaminoacetonitrile
CID 141219
N,N-Diisopropylaminoacetonitrile
CID 231128
N,N-Diisopropylisobutylamine
CID 3312177
4-Diisopropylaminobutyronitrile
CID 83775
2-(Diethylamino)butanenitrile
CID 573911
2-(Diethylamino)-2-methylpropanenitrile
CID 12570646
3-(Methyl(propan-2-yl)amino)propanenitrile
CID 10486859
beta-(Diethylamino)isobutyronitrile
CID 6454522
3-[Di(propan-2-yl)amino]propanenitrile
CID 19768177
Acetonitril=triethyl amine
CID 21421449
3-(Ethylpropylamino)propanenitrile
CID 574065

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile (CID 43367383) is 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile is CC(C#N)CN(C)C(C)C.
What is the InChIKey of 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile?
The InChIKey is KRUKYQBUYSSBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)10(4)6-8(3)5-9/h7-8H,6H2,1-4H3.
What are the key properties of 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile?
2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(propan-2-yl)amino]propanenitrile is sourced from PubChem (CID 43367383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).