3-(tert-butylamino)-2-methylbutanenitrile

C9H18N2 — CID 130684626

IUPAC3-(tert-butylamino)-2-methylbutanenitrile
SMILESCC(C#N)C(C)NC(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(6-10)8(2)11-9(3,4)5/h7-8,11H,1-5H3
InChIKeyGQMNGWVOKXMQFH-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.92
Rot. Bonds2

About 3-(tert-butylamino)-2-methylbutanenitrile

3-(tert-butylamino)-2-methylbutanenitrile (PubChem CID 130684626) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(tert-butylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name3-(tert-butylamino)-2-methylbutanenitrile
PubChem CID130684626
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(tert-butylamino)-2-methylbutanenitrile
SMILESCC(C#N)C(C)NC(C)(C)C
InChIInChI=1S/C9H18N2/c1-7(6-10)8(2)11-9(3,4)5/h7-8,11H,1-5H3
InChIKeyGQMNGWVOKXMQFH-UHFFFAOYSA-N
XLogP1.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-2-methylbutanenitrile?
The IUPAC name of 3-(tert-butylamino)-2-methylbutanenitrile (CID 130684626) is 3-(tert-butylamino)-2-methylbutanenitrile.
What is the SMILES notation for 3-(tert-butylamino)-2-methylbutanenitrile?
The canonical SMILES for 3-(tert-butylamino)-2-methylbutanenitrile is CC(C#N)C(C)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-2-methylbutanenitrile?
The InChIKey is GQMNGWVOKXMQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(6-10)8(2)11-9(3,4)5/h7-8,11H,1-5H3.
What are the key properties of 3-(tert-butylamino)-2-methylbutanenitrile?
3-(tert-butylamino)-2-methylbutanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-2-methylbutanenitrile is sourced from PubChem (CID 130684626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).