2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile

C15H28N4 — CID 64728323

IUPAC2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
SMILESCNC(C)(C#N)CC(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H28N4/c1-13(10-15(2,12-16)17-3)19-9-6-14(11-19)18-7-4-5-8-18/h13-14,17H,4-11H2,1-3H3
InChIKeyWBUKGYZCPAXLHT-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.44
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile

2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile (PubChem CID 64728323) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
PubChem CID64728323
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
SMILESCNC(C)(C#N)CC(C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H28N4/c1-13(10-15(2,12-16)17-3)19-9-6-14(11-19)18-7-4-5-8-18/h13-14,17H,4-11H2,1-3H3
InChIKeyWBUKGYZCPAXLHT-UHFFFAOYSA-N
XLogP1.44
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725330
2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725328
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 64727681
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64726134
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(methylamino)propanenitrile
CID 79943938
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
CID 64727115
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile (CID 64728323) is 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile is CNC(C)(C#N)CC(C)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The InChIKey is WBUKGYZCPAXLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(10-15(2,12-16)17-3)19-9-6-14(11-19)18-7-4-5-8-18/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile?
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile has a molecular weight of 264.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 64728323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).