3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine

C12H20N6 — CID 175409591

IUPAC3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCn1ccnc1CC(N)(CN)Cc1nccn1C
InChIInChI=1S/C12H20N6/c1-17-5-3-15-10(17)7-12(14,9-13)8-11-16-4-6-18(11)2/h3-6H,7-9,13-14H2,1-2H3
InChIKeyHAGIHWWVOSZVAJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.41
Rot. Bonds5

About 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine

3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (PubChem CID 175409591) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
PubChem CID175409591
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
SMILESCn1ccnc1CC(N)(CN)Cc1nccn1C
InChIInChI=1S/C12H20N6/c1-17-5-3-15-10(17)7-12(14,9-13)8-11-16-4-6-18(11)2/h3-6H,7-9,13-14H2,1-2H3
InChIKeyHAGIHWWVOSZVAJ-UHFFFAOYSA-N
XLogP-0.41
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 79744904
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79737849
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine
CID 79738719
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(fluoromethyl)-1-methylimidazole
CID 11679811
2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390378

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine (CID 175409591) is 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is Cn1ccnc1CC(N)(CN)Cc1nccn1C.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
The InChIKey is HAGIHWWVOSZVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-17-5-3-15-10(17)7-12(14,9-13)8-11-16-4-6-18(11)2/h3-6H,7-9,13-14H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine?
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine has a molecular weight of 248.33 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 175409591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).