2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile

C15H28N4 — CID 64725328

IUPAC2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
SMILESCC(CC(C)(N)C#N)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H28N4/c1-13(10-15(2,17)12-16)19-9-6-14(11-19)18-7-4-3-5-8-18/h13-14H,3-11,17H2,1-2H3
InChIKeyDURSPLDBYUFMGP-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile

2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile (PubChem CID 64725328) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
PubChem CID64725328
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
SMILESCC(CC(C)(N)C#N)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C15H28N4/c1-13(10-15(2,17)12-16)19-9-6-14(11-19)18-7-4-3-5-8-18/h13-14H,3-11,17H2,1-2H3
InChIKeyDURSPLDBYUFMGP-UHFFFAOYSA-N
XLogP1.57
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 64727681
2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725330
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64728323
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229
2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465
2-amino-4-(4-ethoxypiperidin-1-yl)-2-methylpentanenitrile
CID 64727482
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpentanamide
CID 64705367
4,4-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63171716
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile (CID 64725328) is 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile is CC(CC(C)(N)C#N)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
The InChIKey is DURSPLDBYUFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(10-15(2,17)12-16)19-9-6-14(11-19)18-7-4-3-5-8-18/h13-14H,3-11,17H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile?
2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile has a molecular weight of 264.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 64725328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).