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

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Related Compounds

N-tert-butyl-N'-(4,5-dihydro-1H-imidazol-2-yl)-N'-propylpropane-1,3-diamine
CID 129252636
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-propylpropane-1,3-diamine
CID 65169679
N'-(3,6-dimethylpyrazin-2-yl)-N'-propylpropane-1,3-diamine
CID 60870239
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788667
N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
CID 22594256
N'-(4-propan-2-yloxypyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 112636277
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972544
N-(2,6-dibromophenyl)-N-pentyl-4,5-dihydro-1H-imidazol-2-amine
CID 12674648
N'-propyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
CID 114449487
N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
CID 65270336
3-[amino(propyl)amino]propan-1-amine
CID 174913474

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).