4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile

C16H31N3 — CID 78977422

IUPAC4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN(CCC(C)C)C1CC1
InChIInChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)9-12-19(15-6-7-15)11-8-14(2)3/h14-15,18H,5-12H2,1-4H3
InChIKeyYPKUSONLOKRPCV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.17
Rot. Bonds10

About 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile

4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile (PubChem CID 78977422) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
PubChem CID78977422
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile
SMILESCCCNC(C)(C#N)CCN(CCC(C)C)C1CC1
InChIInChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)9-12-19(15-6-7-15)11-8-14(2)3/h14-15,18H,5-12H2,1-4H3
InChIKeyYPKUSONLOKRPCV-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile (CID 78977422) is 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile is CCCNC(C)(C#N)CCN(CCC(C)C)C1CC1.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile?
The InChIKey is YPKUSONLOKRPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-10-18-16(4,13-17)9-12-19(15-6-7-15)11-8-14(2)3/h14-15,18H,5-12H2,1-4H3.
What are the key properties of 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile?
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile has a molecular weight of 265.44 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)butanenitrile is sourced from PubChem (CID 78977422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).