2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile

C13H23N5 — CID 55143069

IUPAC2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile
SMILESCNC(C)(C#N)CCCN(C)Cc1nccn1C
InChIInChI=1S/C13H23N5/c1-13(11-14,15-2)6-5-8-17(3)10-12-16-7-9-18(12)4/h7,9,15H,5-6,8,10H2,1-4H3
InChIKeyQGEQLXXUDMGOSW-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.13
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile

2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile (PubChem CID 55143069) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile
PubChem CID55143069
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile
SMILESCNC(C)(C#N)CCCN(C)Cc1nccn1C
InChIInChI=1S/C13H23N5/c1-13(11-14,15-2)6-5-8-17(3)10-12-16-7-9-18(12)4/h7,9,15H,5-6,8,10H2,1-4H3
InChIKeyQGEQLXXUDMGOSW-UHFFFAOYSA-N
XLogP1.13
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile (CID 55143069) is 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile is CNC(C)(C#N)CCCN(C)Cc1nccn1C.
What is the InChIKey of 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile?
The InChIKey is QGEQLXXUDMGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-13(11-14,15-2)6-5-8-17(3)10-12-16-7-9-18(12)4/h7,9,15H,5-6,8,10H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile?
2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile has a molecular weight of 249.36 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanenitrile is sourced from PubChem (CID 55143069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).