2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

C15H31N3 — CID 106802974

IUPAC2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC(C)C)C(C)C
InChIInChI=1S/C15H31N3/c1-7-15(12-16,17-13(3)4)10-9-11-18(8-2)14(5)6/h13-14,17H,7-11H2,1-6H3
InChIKeyHUQBBHNMBUQPAW-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.17
Rot. Bonds9

About 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile

2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106802974) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
PubChem CID106802974
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC(C)C)C(C)C
InChIInChI=1S/C15H31N3/c1-7-15(12-16,17-13(3)4)10-9-11-18(8-2)14(5)6/h13-14,17H,7-11H2,1-6H3
InChIKeyHUQBBHNMBUQPAW-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)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

5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803222
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
5-[cyclopropyl(propyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803009
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile (CID 106802974) is 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is CCN(CCCC(C#N)(CC)NC(C)C)C(C)C.
What is the InChIKey of 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is HUQBBHNMBUQPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-7-15(12-16,17-13(3)4)10-9-11-18(8-2)14(5)6/h13-14,17H,7-11H2,1-6H3.
What are the key properties of 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile?
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 253.43 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106802974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).