2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile

C12H25N3 — CID 63028708

IUPAC2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile
SMILESCCC(CC)CN(CC)CCC(N)C#N
InChIInChI=1S/C12H25N3/c1-4-11(5-2)10-15(6-3)8-7-12(14)9-13/h11-12H,4-8,10,14H2,1-3H3
InChIKeyFEEFROBACBZCQL-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.99
Rot. Bonds8

About 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile

2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile (PubChem CID 63028708) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile.

Molecular Properties

Compound Name2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile
PubChem CID63028708
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile
SMILESCCC(CC)CN(CC)CCC(N)C#N
InChIInChI=1S/C12H25N3/c1-4-11(5-2)10-15(6-3)8-7-12(14)9-13/h11-12H,4-8,10,14H2,1-3H3
InChIKeyFEEFROBACBZCQL-UHFFFAOYSA-N
XLogP1.99
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile?
The IUPAC name of 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile (CID 63028708) is 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile.
What is the SMILES notation for 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile?
The canonical SMILES for 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile is CCC(CC)CN(CC)CCC(N)C#N.
What is the InChIKey of 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile?
The InChIKey is FEEFROBACBZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-11(5-2)10-15(6-3)8-7-12(14)9-13/h11-12H,4-8,10,14H2,1-3H3.
What are the key properties of 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile?
2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile has a molecular weight of 211.35 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(2-ethylbutyl)amino]butanenitrile is sourced from PubChem (CID 63028708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).