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

C9H18N2 — CID 10820789

IUPAC3-[methyl(2-methylbutan-2-yl)amino]propanenitrile
SMILESCCC(C)(C)N(C)CCC#N
InChIInChI=1S/C9H18N2/c1-5-9(2,3)11(4)8-6-7-10/h5-6,8H2,1-4H3
InChIKeyJVRHUCYPYMUJBL-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.02
Rot. Bonds4

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

3-[methyl(2-methylbutan-2-yl)amino]propanenitrile (PubChem CID 10820789) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl(2-methylbutan-2-yl)amino]propanenitrile
PubChem CID10820789
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-[methyl(2-methylbutan-2-yl)amino]propanenitrile
SMILESCCC(C)(C)N(C)CCC#N
InChIInChI=1S/C9H18N2/c1-5-9(2,3)11(4)8-6-7-10/h5-6,8H2,1-4H3
InChIKeyJVRHUCYPYMUJBL-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile (CID 10820789) is 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile is CCC(C)(C)N(C)CCC#N.
What is the InChIKey of 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
The InChIKey is JVRHUCYPYMUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-9(2,3)11(4)8-6-7-10/h5-6,8H2,1-4H3.
What are the key properties of 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile?
3-[methyl(2-methylbutan-2-yl)amino]propanenitrile has a molecular weight of 154.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutan-2-yl)amino]propanenitrile is sourced from PubChem (CID 10820789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).