3-[tert-butyl(methyl)amino]-2-methylpropanenitrile

C9H18N2 — CID 82111214

IUPAC3-[tert-butyl(methyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(6-10)7-11(5)9(2,3)4/h8H,7H2,1-5H3
InChIKeyOWXVYHVYVLVZNE-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds2

About 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile

3-[tert-butyl(methyl)amino]-2-methylpropanenitrile (PubChem CID 82111214) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[tert-butyl(methyl)amino]-2-methylpropanenitrile
PubChem CID82111214
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-[tert-butyl(methyl)amino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-8(6-10)7-11(5)9(2,3)4/h8H,7H2,1-5H3
InChIKeyOWXVYHVYVLVZNE-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
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]-2-methylpropanenitrile?
The IUPAC name of 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile (CID 82111214) is 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile is CC(C#N)CN(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
The InChIKey is OWXVYHVYVLVZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(6-10)7-11(5)9(2,3)4/h8H,7H2,1-5H3.
What are the key properties of 3-[tert-butyl(methyl)amino]-2-methylpropanenitrile?
3-[tert-butyl(methyl)amino]-2-methylpropanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 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]-2-methylpropanenitrile is sourced from PubChem (CID 82111214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).