2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine

C14H27N5 — CID 114708327

IUPAC2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CC1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-14(2,15-3)13-8-16-11-19(13)10-12-9-17(4)6-7-18(12)5/h8,11-12,15H,6-7,9-10H2,1-5H3
InChIKeyAODFABBEPASTDY-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.58
Rot. Bonds4

About 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine

2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114708327) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114708327
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1cncn1CC1CN(C)CCN1C
InChIInChI=1S/C14H27N5/c1-14(2,15-3)13-8-16-11-19(13)10-12-9-17(4)6-7-18(12)5/h8,11-12,15H,6-7,9-10H2,1-5H3
InChIKeyAODFABBEPASTDY-UHFFFAOYSA-N
XLogP0.58
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104943232
N-[[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149947
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
N-methyl-2-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]propan-2-amine
CID 114130067
N-methyl-2-[3-(2-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708450
N-methyl-2-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114708201
N-methyl-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]acetamide
CID 114707928
1-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-4-methylimidazol-2-amine
CID 106574098
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104534729
N-tert-butyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]propanamide
CID 114708418
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
2-[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708000

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine (CID 114708327) is 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine is CNC(C)(C)c1cncn1CC1CN(C)CCN1C.
What is the InChIKey of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is AODFABBEPASTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-14(2,15-3)13-8-16-11-19(13)10-12-9-17(4)6-7-18(12)5/h8,11-12,15H,6-7,9-10H2,1-5H3.
What are the key properties of 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114708327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).