N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine

C9H20N4 — CID 118689751

IUPACN'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)C1=NCCN1
InChIInChI=1S/C9H20N4/c1-2-7-13(8-3-4-10)9-11-5-6-12-9/h2-8,10H2,1H3,(H,11,12)
InChIKeyAYJAYMYSZJVBJM-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.01
Rot. Bonds5

About N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine

N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 118689751) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID118689751
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)C1=NCCN1
InChIInChI=1S/C9H20N4/c1-2-7-13(8-3-4-10)9-11-5-6-12-9/h2-8,10H2,1H3,(H,11,12)
InChIKeyAYJAYMYSZJVBJM-UHFFFAOYSA-N
XLogP0.01
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine (CID 118689751) is N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)C1=NCCN1.
What is the InChIKey of N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is AYJAYMYSZJVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-2-7-13(8-3-4-10)9-11-5-6-12-9/h2-8,10H2,1H3,(H,11,12).
What are the key properties of N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine?
N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 184.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 118689751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).