2-amino-3-methyl-2-propan-2-ylbutanenitrile

C8H16N2 — CID 71439279

IUPAC2-amino-3-methyl-2-propan-2-ylbutanenitrile
SMILESCC(C)C(N)(C#N)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(10,5-9)7(3)4/h6-7H,10H2,1-4H3
InChIKeyLXEJQBYRXITVQN-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-3-methyl-2-propan-2-ylbutanenitrile

2-amino-3-methyl-2-propan-2-ylbutanenitrile (PubChem CID 71439279) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-amino-3-methyl-2-propan-2-ylbutanenitrile.

Molecular Properties

Compound Name2-amino-3-methyl-2-propan-2-ylbutanenitrile
PubChem CID71439279
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-amino-3-methyl-2-propan-2-ylbutanenitrile
SMILESCC(C)C(N)(C#N)C(C)C
InChIInChI=1S/C8H16N2/c1-6(2)8(10,5-9)7(3)4/h6-7H,10H2,1-4H3
InChIKeyLXEJQBYRXITVQN-UHFFFAOYSA-N
XLogP1.52
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-2-propan-2-ylbutanenitrile?
The IUPAC name of 2-amino-3-methyl-2-propan-2-ylbutanenitrile (CID 71439279) is 2-amino-3-methyl-2-propan-2-ylbutanenitrile.
What is the SMILES notation for 2-amino-3-methyl-2-propan-2-ylbutanenitrile?
The canonical SMILES for 2-amino-3-methyl-2-propan-2-ylbutanenitrile is CC(C)C(N)(C#N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-2-propan-2-ylbutanenitrile?
The InChIKey is LXEJQBYRXITVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)8(10,5-9)7(3)4/h6-7H,10H2,1-4H3.
What are the key properties of 2-amino-3-methyl-2-propan-2-ylbutanenitrile?
2-amino-3-methyl-2-propan-2-ylbutanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-2-propan-2-ylbutanenitrile is sourced from PubChem (CID 71439279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).