2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile

C13H26N4 — CID 79315492

IUPAC2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
SMILESCNC(C)(C#N)CCN(C)CC1CCCN1C
InChIInChI=1S/C13H26N4/c1-13(11-14,15-2)7-9-16(3)10-12-6-5-8-17(12)4/h12,15H,5-10H2,1-4H3
InChIKeyBQDJZVQCHVKEDH-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.90
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile

2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile (PubChem CID 79315492) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
PubChem CID79315492
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile
SMILESCNC(C)(C#N)CCN(C)CC1CCCN1C
InChIInChI=1S/C13H26N4/c1-13(11-14,15-2)7-9-16(3)10-12-6-5-8-17(12)4/h12,15H,5-10H2,1-4H3
InChIKeyBQDJZVQCHVKEDH-UHFFFAOYSA-N
XLogP0.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)propanenitrile
CID 79315856
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
N'-hydroxy-2,2-dimethyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanimidamide
CID 79318759
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]but-3-yn-1-amine
CID 79319044
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288
2-methyl-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-(propylamino)pentanenitrile
CID 79314860
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79318682
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile (CID 79315492) is 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile is CNC(C)(C#N)CCN(C)CC1CCCN1C.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile?
The InChIKey is BQDJZVQCHVKEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-13(11-14,15-2)7-9-16(3)10-12-6-5-8-17(12)4/h12,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile?
2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.90, 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-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanenitrile is sourced from PubChem (CID 79315492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).