N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine

C12H24N4 — CID 46784303

IUPACN',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1nc(CNCCCN(C)C)n(C)c1C
InChIInChI=1S/C12H24N4/c1-10-11(2)16(5)12(14-10)9-13-7-6-8-15(3)4/h13H,6-9H2,1-5H3
InChIKeyGCWKAVBOULPBNJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.08
Rot. Bonds6

About N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine

N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 46784303) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine
PubChem CID46784303
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1nc(CNCCCN(C)C)n(C)c1C
InChIInChI=1S/C12H24N4/c1-10-11(2)16(5)12(14-10)9-13-7-6-8-15(3)4/h13H,6-9H2,1-5H3
InChIKeyGCWKAVBOULPBNJ-UHFFFAOYSA-N
XLogP1.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(oxan-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
CID 46784293
2-(1-cyclopentylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
CID 131938801
2-(1,4,5-trimethylimidazol-2-yl)ethanethiol
CID 154656315
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
1-(1,2-dimethylbenzimidazol-5-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
CID 131921133
3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526188
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
CID 21254466
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
CID 62565065
5-[3-(dimethylamino)propylamino]-1,3-dimethylpyrazole-4-carbothioamide
CID 63756859
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 82364469

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine (CID 46784303) is N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine is Cc1nc(CNCCCN(C)C)n(C)c1C.
What is the InChIKey of N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is GCWKAVBOULPBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10-11(2)16(5)12(14-10)9-13-7-6-8-15(3)4/h13H,6-9H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine?
N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 46784303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).