3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile

C10H20N2 — CID 60745327

IUPAC3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
SMILESCC(N(C)CCC#N)C(C)(C)C
InChIInChI=1S/C10H20N2/c1-9(10(2,3)4)12(5)8-6-7-11/h9H,6,8H2,1-5H3
InChIKeyPOVAXQATBYKTRF-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.27
Rot. Bonds3

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

3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile (PubChem CID 60745327) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
PubChem CID60745327
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile
SMILESCC(N(C)CCC#N)C(C)(C)C
InChIInChI=1S/C10H20N2/c1-9(10(2,3)4)12(5)8-6-7-11/h9H,6,8H2,1-5H3
InChIKeyPOVAXQATBYKTRF-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
The IUPAC name of 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile (CID 60745327) is 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile is CC(N(C)CCC#N)C(C)(C)C.
What is the InChIKey of 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
The InChIKey is POVAXQATBYKTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(10(2,3)4)12(5)8-6-7-11/h9H,6,8H2,1-5H3.
What are the key properties of 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile?
3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile has a molecular weight of 168.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-dimethylbutan-2-yl(methyl)amino]propanenitrile is sourced from PubChem (CID 60745327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).