2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile

C16H30N4 — CID 63008625

IUPAC2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
SMILESCNC(C)(C#N)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H30N4/c1-16(14-17,18-2)7-12-19-10-5-15(6-11-19)13-20-8-3-4-9-20/h15,18H,3-13H2,1-2H3
InChIKeyKKQZVMOWCWXLQK-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.69
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile

2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile (PubChem CID 63008625) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
PubChem CID63008625
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
SMILESCNC(C)(C#N)CCN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H30N4/c1-16(14-17,18-2)7-12-19-10-5-15(6-11-19)13-20-8-3-4-9-20/h15,18H,3-13H2,1-2H3
InChIKeyKKQZVMOWCWXLQK-UHFFFAOYSA-N
XLogP1.69
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile
CID 65251719
4-(3-azaspiro[5.5]undecan-3-yl)-2-methyl-2-(methylamino)butanenitrile
CID 62930945
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
2-methyl-2-(methylamino)-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexanenitrile
CID 63165853
5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanenitrile
CID 62996721
2,2-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanimidamide
CID 65252553
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 63007703
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methyl-2-(methylamino)hexanenitrile
CID 63150692
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(methylamino)propanenitrile
CID 81199089
2-(cyclopropylamino)-2-methyl-5-(4-methylazepan-1-yl)pentanenitrile
CID 63622116
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
CID 79315492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile (CID 63008625) is 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile is CNC(C)(C#N)CCN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
The InChIKey is KKQZVMOWCWXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-16(14-17,18-2)7-12-19-10-5-15(6-11-19)13-20-8-3-4-9-20/h15,18H,3-13H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile?
2-methyl-2-(methylamino)-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile has a molecular weight of 278.44 g/mol, XLogP of 1.69, 6 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-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butanenitrile is sourced from PubChem (CID 63008625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).