2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine

C13H25N5 — CID 114204445

IUPAC2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine
SMILESCN1CCN(n2cnc(CNC(C)(C)C)c2)CC1
InChIInChI=1S/C13H25N5/c1-13(2,3)15-9-12-10-18(11-14-12)17-7-5-16(4)6-8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyGFVVJSMZMNIXQF-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.65
Rot. Bonds3

About 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114204445) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID114204445
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine
SMILESCN1CCN(n2cnc(CNC(C)(C)C)c2)CC1
InChIInChI=1S/C13H25N5/c1-13(2,3)15-9-12-10-18(11-14-12)17-7-5-16(4)6-8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyGFVVJSMZMNIXQF-UHFFFAOYSA-N
XLogP0.65
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44211090
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine (CID 114204445) is 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine is CN1CCN(n2cnc(CNC(C)(C)C)c2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is GFVVJSMZMNIXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2,3)15-9-12-10-18(11-14-12)17-7-5-16(4)6-8-17/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 251.38 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylpiperazin-1-yl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114204445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).