4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile

C14H29N3 — CID 79481322

IUPAC4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN(CC)CC(C)CC
InChIInChI=1S/C14H29N3/c1-5-9-16-14(11-15)8-10-17(7-3)12-13(4)6-2/h13-14,16H,5-10,12H2,1-4H3
InChIKeyGMAYHENFBMCXDK-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.64
Rot. Bonds10

About 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile

4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile (PubChem CID 79481322) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile
PubChem CID79481322
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCN(CC)CC(C)CC
InChIInChI=1S/C14H29N3/c1-5-9-16-14(11-15)8-10-17(7-3)12-13(4)6-2/h13-14,16H,5-10,12H2,1-4H3
InChIKeyGMAYHENFBMCXDK-UHFFFAOYSA-N
XLogP2.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile?
The IUPAC name of 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile (CID 79481322) is 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile is CCCNC(C#N)CCN(CC)CC(C)CC.
What is the InChIKey of 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile?
The InChIKey is GMAYHENFBMCXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-9-16-14(11-15)8-10-17(7-3)12-13(4)6-2/h13-14,16H,5-10,12H2,1-4H3.
What are the key properties of 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile?
4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile is sourced from PubChem (CID 79481322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).