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

C13H22N6 — CID 59827554

IUPAC1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cn2cnc(CC(C)N)c2)cn1
InChIInChI=1S/C13H22N6/c1-10(14)3-12-5-18(7-16-12)9-19-6-13(17-8-19)4-11(2)15/h5-8,10-11H,3-4,9,14-15H2,1-2H3
InChIKeyZBKLTRRVZJIUBX-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.36
Rot. Bonds6

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

1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine (PubChem CID 59827554) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
PubChem CID59827554
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cn2cnc(CC(C)N)c2)cn1
InChIInChI=1S/C13H22N6/c1-10(14)3-12-5-18(7-16-12)9-19-6-13(17-8-19)4-11(2)15/h5-8,10-11H,3-4,9,14-15H2,1-2H3
InChIKeyZBKLTRRVZJIUBX-UHFFFAOYSA-N
XLogP0.36
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
CID 106721010
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721143
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
[4-[(2R)-2-aminopropyl]imidazole-1-carbonyl] 4-[(2R)-2-aminopropyl]imidazole-1-carboxylate
CID 123728751

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine (CID 59827554) is 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(Cn2cnc(CC(C)N)c2)cn1.
What is the InChIKey of 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is ZBKLTRRVZJIUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-10(14)3-12-5-18(7-16-12)9-19-6-13(17-8-19)4-11(2)15/h5-8,10-11H,3-4,9,14-15H2,1-2H3.
What are the key properties of 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine?
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 59827554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).