2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile

C15H31N3 — CID 106802943

IUPAC2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)CC(C)C
InChIInChI=1S/C15H31N3/c1-6-10-17-15(7-2,13-16)9-8-11-18(5)12-14(3)4/h14,17H,6-12H2,1-5H3
InChIKeyYKDDXBNEEIDDIG-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.03
Rot. Bonds10

About 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile

2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile (PubChem CID 106802943) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
PubChem CID106802943
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)CC(C)C
InChIInChI=1S/C15H31N3/c1-6-10-17-15(7-2,13-16)9-8-11-18(5)12-14(3)4/h14,17H,6-12H2,1-5H3
InChIKeyYKDDXBNEEIDDIG-UHFFFAOYSA-N
XLogP3.03
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)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-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
CID 106803371
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
CID 106803016
2-ethyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 106803917
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propylamino)pentanenitrile
CID 106804355
2-ethyl-5-heptoxy-2-(propylamino)pentanenitrile
CID 106804327
2-ethyl-5-(2-hydroxyethylsulfanyl)-2-(propylamino)pentanenitrile
CID 106805061

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile (CID 106802943) is 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCN(C)CC(C)C.
What is the InChIKey of 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile?
The InChIKey is YKDDXBNEEIDDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-6-10-17-15(7-2,13-16)9-8-11-18(5)12-14(3)4/h14,17H,6-12H2,1-5H3.
What are the key properties of 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile?
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile has a molecular weight of 253.43 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106802943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).