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

C16H33N3 — CID 106803371

IUPAC2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)CCC(C)C
InChIInChI=1S/C16H33N3/c1-6-11-18-16(7-2,14-17)10-8-12-19(5)13-9-15(3)4/h15,18H,6-13H2,1-5H3
InChIKeyAFZMNBUDYRJMFZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.42
Rot. Bonds11

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

2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile (PubChem CID 106803371) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
PubChem CID106803371
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN(C)CCC(C)C
InChIInChI=1S/C16H33N3/c1-6-11-18-16(7-2,14-17)10-8-12-19(5)13-9-15(3)4/h15,18H,6-13H2,1-5H3
InChIKeyAFZMNBUDYRJMFZ-UHFFFAOYSA-N
XLogP3.42
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-ethyl-5-(3-methylbutylsulfanyl)-2-(propylamino)pentanenitrile
CID 107755114
5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
2-amino-2-ethyl-5-[methyl(3-methylbutyl)amino]pentanenitrile
CID 106803370
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
CID 106803016
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803221
2-propyl-2-(propylamino)pentanenitrile
CID 28900772
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-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
2-ethyl-5-octoxy-2-(propylamino)pentanenitrile
CID 106804306

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile?
The IUPAC name of 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile (CID 106803371) is 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile.
What is the SMILES notation for 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile?
The canonical SMILES for 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCN(C)CCC(C)C.
What is the InChIKey of 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile?
The InChIKey is AFZMNBUDYRJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-11-18-16(7-2,14-17)10-8-12-19(5)13-9-15(3)4/h15,18H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile?
2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile has a molecular weight of 267.46 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(3-methylbutyl)amino]-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106803371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).