N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine

C14H25N7 — CID 23422523

IUPACN'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine
SMILESc1ncc(CNCCCNCCCNCc2cnc[nH]2)[nH]1
InChIInChI=1S/C14H25N7/c1(5-16-7-13-9-18-11-20-13)3-15-4-2-6-17-8-14-10-19-12-21-14/h9-12,15-17H,1-8H2,(H,18,20)(H,19,21)
InChIKeyOABBUICCVXYDEQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.38
Rot. Bonds12

About N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine

N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine (PubChem CID 23422523) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine
PubChem CID23422523
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC NameN'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine
SMILESc1ncc(CNCCCNCCCNCc2cnc[nH]2)[nH]1
InChIInChI=1S/C14H25N7/c1(5-16-7-13-9-18-11-20-13)3-15-4-2-6-17-8-14-10-19-12-21-14/h9-12,15-17H,1-8H2,(H,18,20)(H,19,21)
InChIKeyOABBUICCVXYDEQ-UHFFFAOYSA-N
XLogP0.38
TPSA93.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methylimidazole
CID 13195
1-(1H-Imidazol-5-yl)methanamine
CID 12408174
2-(4-1H-imidazolyl)-4-trifluoromethyl-1H-imidazole
CID 10488302
1-[4-(1H-imidazol-5-yl)butyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13111994
4-Trifluoromethyl-2,2'-bi[1H-imidazole]
CID 13663747
2-(1H-imidazol-2-yl)-1H-imidazole-5-carbonitrile
CID 13663754
2-(1H-imidazol-2-yl)-5-methyl-1H-imidazole
CID 44339795
2-(1H-imidazol-5-yl)-1H-imidazole-5-carbonitrile
CID 44339902
4(5)-(Methyl-d3)imidazole; 5-(Methyl-d3)-1H-imidazole
CID 71750394
(1H-imidazol-4-yl)methanamine dihydrochloride
CID 12408175
(1H-imidazol-4-ylmethyl)(methyl)amine
CID 20675588
(1H-Imidazol-4-yl)methanamine hydrochloride
CID 45791344

Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine (CID 23422523) is N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine is c1ncc(CNCCCNCCCNCc2cnc[nH]2)[nH]1.
What is the InChIKey of N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine?
The InChIKey is OABBUICCVXYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1(5-16-7-13-9-18-11-20-13)3-15-4-2-6-17-8-14-10-19-12-21-14/h9-12,15-17H,1-8H2,(H,18,20)(H,19,21).
What are the key properties of N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine?
N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine has a molecular weight of 291.40 g/mol, XLogP of 0.38, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-5-ylmethyl)-N-[3-(1H-imidazol-5-ylmethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 23422523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).