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

C7H14N2 — CID 10486859

IUPAC3-[methyl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(C)CCC#N
InChIInChI=1S/C7H14N2/c1-7(2)9(3)6-4-5-8/h7H,4,6H2,1-3H3
InChIKeyKLRXOQGSWRYLJJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.24
Rot. Bonds3

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

3-[methyl(propan-2-yl)amino]propanenitrile (PubChem CID 10486859) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)amino]propanenitrile
PubChem CID10486859
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-[methyl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(C)CCC#N
InChIInChI=1S/C7H14N2/c1-7(2)9(3)6-4-5-8/h7H,4,6H2,1-3H3
InChIKeyKLRXOQGSWRYLJJ-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl(propan-2-yl)amino]propanenitrile (CID 10486859) is 3-[methyl(propan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(propan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(propan-2-yl)amino]propanenitrile is CC(C)N(C)CCC#N.
What is the InChIKey of 3-[methyl(propan-2-yl)amino]propanenitrile?
The InChIKey is KLRXOQGSWRYLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)9(3)6-4-5-8/h7H,4,6H2,1-3H3.
What are the key properties of 3-[methyl(propan-2-yl)amino]propanenitrile?
3-[methyl(propan-2-yl)amino]propanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)amino]propanenitrile is sourced from PubChem (CID 10486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).