3-[tert-butyl(methyl)amino]propanenitrile

C8H16N2 — CID 58721783

IUPAC3-[tert-butyl(methyl)amino]propanenitrile
SMILESCN(CCC#N)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)10(4)7-5-6-9/h5,7H2,1-4H3
InChIKeySEMVGTDKUOYFBC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.63
Rot. Bonds2

About 3-[tert-butyl(methyl)amino]propanenitrile

3-[tert-butyl(methyl)amino]propanenitrile (PubChem CID 58721783) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-[tert-butyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[tert-butyl(methyl)amino]propanenitrile
PubChem CID58721783
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-[tert-butyl(methyl)amino]propanenitrile
SMILESCN(CCC#N)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-8(2,3)10(4)7-5-6-9/h5,7H2,1-4H3
InChIKeySEMVGTDKUOYFBC-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methyl)amino]propanenitrile?
The IUPAC name of 3-[tert-butyl(methyl)amino]propanenitrile (CID 58721783) is 3-[tert-butyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-[tert-butyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-[tert-butyl(methyl)amino]propanenitrile is CN(CCC#N)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(methyl)amino]propanenitrile?
The InChIKey is SEMVGTDKUOYFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)10(4)7-5-6-9/h5,7H2,1-4H3.
What are the key properties of 3-[tert-butyl(methyl)amino]propanenitrile?
3-[tert-butyl(methyl)amino]propanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methyl)amino]propanenitrile is sourced from PubChem (CID 58721783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).