4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile

C17H35N3 — CID 107870928

IUPAC4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H35N3/c1-7-19-17(6,14-18)10-13-20(11-8-15(2)3)12-9-16(4)5/h15-16,19H,7-13H2,1-6H3
InChIKeyDRLISSKURZBERW-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.66
Rot. Bonds11

About 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile

4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile (PubChem CID 107870928) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
PubChem CID107870928
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H35N3/c1-7-19-17(6,14-18)10-13-20(11-8-15(2)3)12-9-16(4)5/h15-16,19H,7-13H2,1-6H3
InChIKeyDRLISSKURZBERW-UHFFFAOYSA-N
XLogP3.66
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 82959910
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 78977422
5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 107870923
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
2-(ethylamino)-6,6,6-trifluoro-2-methylhexanenitrile
CID 116535435
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-[2-(diethylamino)ethylamino]-2,4-dimethylpentanenitrile
CID 61005955
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(ethylamino)-2-methylbutanenitrile
CID 62888834

Frequently Asked Questions

What is the IUPAC name of 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile (CID 107870928) is 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile is CCNC(C)(C#N)CCN(CCC(C)C)CCC(C)C.
What is the InChIKey of 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The InChIKey is DRLISSKURZBERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-7-19-17(6,14-18)10-13-20(11-8-15(2)3)12-9-16(4)5/h15-16,19H,7-13H2,1-6H3.
What are the key properties of 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile has a molecular weight of 281.49 g/mol, XLogP of 3.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3-methylbutyl)amino]-2-(ethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 107870928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).