N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine

C9H14N6 — CID 67605927

IUPACN',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine
SMILESNCCCN(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C9H14N6/c10-2-1-7-15(8-11-3-4-12-8)9-13-5-6-14-9/h3-6H,1-2,7,10H2,(H,11,12)(H,13,14)
InChIKeyKABCLCGUQGHDMZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.62
Rot. Bonds5

About N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine

N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine (PubChem CID 67605927) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine
PubChem CID67605927
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC NameN',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine
SMILESNCCCN(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C9H14N6/c10-2-1-7-15(8-11-3-4-12-8)9-13-5-6-14-9/h3-6H,1-2,7,10H2,(H,11,12)(H,13,14)
InChIKeyKABCLCGUQGHDMZ-UHFFFAOYSA-N
XLogP0.62
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine (CID 67605927) is N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine is NCCCN(c1ncc[nH]1)c1ncc[nH]1.
What is the InChIKey of N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine?
The InChIKey is KABCLCGUQGHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c10-2-1-7-15(8-11-3-4-12-8)9-13-5-6-14-9/h3-6H,1-2,7,10H2,(H,11,12)(H,13,14).
What are the key properties of N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine?
N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(1H-imidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 67605927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).