2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile

C15H29N3 — CID 63965795

IUPAC2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
SMILESCCC(C)(C)N(C)CCCC(C)(C#N)NC1CC1
InChIInChI=1S/C15H29N3/c1-6-14(2,3)18(5)11-7-10-15(4,12-16)17-13-8-9-13/h13,17H,6-11H2,1-5H3
InChIKeyYFUGKDFDCOOCSE-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.92
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile

2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile (PubChem CID 63965795) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
PubChem CID63965795
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
SMILESCCC(C)(C)N(C)CCCC(C)(C#N)NC1CC1
InChIInChI=1S/C15H29N3/c1-6-14(2,3)18(5)11-7-10-15(4,12-16)17-13-8-9-13/h13,17H,6-11H2,1-5H3
InChIKeyYFUGKDFDCOOCSE-UHFFFAOYSA-N
XLogP2.92
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-5-[3-(dimethylamino)propyl-methylamino]-2-methylpentanenitrile
CID 63698921
2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile
CID 63966463
5-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpentanenitrile
CID 63631836
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79850050
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
6-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanenitrile
CID 63632002
2-(cyclopropylamino)-6-[cyclopropyl(3-methylbutyl)amino]-2-methylhexanenitrile
CID 78977480
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-(cyclopropylamino)-6-(3,3-dimethylbutoxy)-2-methylhexanenitrile
CID 66224958
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanenitrile
CID 63700305
2-(cyclopropylamino)-4-[cyclopropyl(3-methylbutyl)amino]-2-methylbutanenitrile
CID 78977424
2-(cyclopropylamino)-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylbutanenitrile
CID 105416596

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile (CID 63965795) is 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile is CCC(C)(C)N(C)CCCC(C)(C#N)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
The InChIKey is YFUGKDFDCOOCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-14(2,3)18(5)11-7-10-15(4,12-16)17-13-8-9-13/h13,17H,6-11H2,1-5H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile?
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 63965795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).