2-amino-2,4,4-trimethylpentanedinitrile

C8H13N3 — CID 170007153

IUPAC2-amino-2,4,4-trimethylpentanedinitrile
SMILESCC(C)(C#N)CC(C)(N)C#N
InChIInChI=1S/C8H13N3/c1-7(2,5-9)4-8(3,11)6-10/h4,11H2,1-3H3
InChIKeySTGJEDOJYVRKLM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.17
Rot. Bonds2

About 2-amino-2,4,4-trimethylpentanedinitrile

2-amino-2,4,4-trimethylpentanedinitrile (PubChem CID 170007153) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-amino-2,4,4-trimethylpentanedinitrile.

Molecular Properties

Compound Name2-amino-2,4,4-trimethylpentanedinitrile
PubChem CID170007153
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-amino-2,4,4-trimethylpentanedinitrile
SMILESCC(C)(C#N)CC(C)(N)C#N
InChIInChI=1S/C8H13N3/c1-7(2,5-9)4-8(3,11)6-10/h4,11H2,1-3H3
InChIKeySTGJEDOJYVRKLM-UHFFFAOYSA-N
XLogP1.17
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,4,4-trimethylpentanedinitrile?
The IUPAC name of 2-amino-2,4,4-trimethylpentanedinitrile (CID 170007153) is 2-amino-2,4,4-trimethylpentanedinitrile.
What is the SMILES notation for 2-amino-2,4,4-trimethylpentanedinitrile?
The canonical SMILES for 2-amino-2,4,4-trimethylpentanedinitrile is CC(C)(C#N)CC(C)(N)C#N.
What is the InChIKey of 2-amino-2,4,4-trimethylpentanedinitrile?
The InChIKey is STGJEDOJYVRKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7(2,5-9)4-8(3,11)6-10/h4,11H2,1-3H3.
What are the key properties of 2-amino-2,4,4-trimethylpentanedinitrile?
2-amino-2,4,4-trimethylpentanedinitrile has a molecular weight of 151.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,4,4-trimethylpentanedinitrile is sourced from PubChem (CID 170007153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).