2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile

C13H27N3 — CID 106803370

IUPAC2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)CCC(C)C
InChIInChI=1S/C13H27N3/c1-5-13(15,11-14)8-6-9-16(4)10-7-12(2)3/h12H,5-10,15H2,1-4H3
InChIKeyLOZPOOCVOWBERO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.38
Rot. Bonds8

About 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile

2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile (PubChem CID 106803370) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
PubChem CID106803370
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
SMILESCCC(N)(C#N)CCCN(C)CCC(C)C
InChIInChI=1S/C13H27N3/c1-5-13(15,11-14)8-6-9-16(4)10-7-12(2)3/h12H,5-10,15H2,1-4H3
InChIKeyLOZPOOCVOWBERO-UHFFFAOYSA-N
XLogP2.38
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-2-ethyl-5-[ethyl(methyl)amino]pentanenitrile
CID 106802962
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
2-amino-2-ethyl-5-[methyl(pentan-2-yl)amino]pentanenitrile
CID 106803086
2-amino-2-ethyl-5-[2-methylpropyl(pentan-3-yl)amino]pentanenitrile
CID 106803848
2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
CID 106803371
2-amino-5-[2-(cyclopropylmethoxy)ethyl-methylamino]-2-ethylpentanenitrile
CID 106803889
2-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-2-ethylpentanenitrile
CID 106803362
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
2-amino-2-ethyl-5-[(4-ethylcyclohexyl)-methylamino]pentanenitrile
CID 106803367
2-amino-2-ethyl-5-[ethyl(2-methoxyethyl)amino]pentanenitrile
CID 106803273
2-amino-5-butan-2-yloxy-2-ethylpentanenitrile
CID 106804662
N'-methyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 61425657

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile (CID 106803370) is 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile is CCC(N)(C#N)CCCN(C)CCC(C)C.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile?
The InChIKey is LOZPOOCVOWBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-13(15,11-14)8-6-9-16(4)10-7-12(2)3/h12H,5-10,15H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile?
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile has a molecular weight of 225.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile is sourced from PubChem (CID 106803370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).