1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine

C6H14N4 — CID 114401743

IUPAC1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
SMILESCC(N)CNC1=NCCN1
InChIInChI=1S/C6H14N4/c1-5(7)4-10-6-8-2-3-9-6/h5H,2-4,7H2,1H3,(H2,8,9,10)
InChIKeyFUZZVILYBVGVEU-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.12
Rot. Bonds2

About 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine

1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine (PubChem CID 114401743) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
PubChem CID114401743
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine
SMILESCC(N)CNC1=NCCN1
InChIInChI=1S/C6H14N4/c1-5(7)4-10-6-8-2-3-9-6/h5H,2-4,7H2,1H3,(H2,8,9,10)
InChIKeyFUZZVILYBVGVEU-UHFFFAOYSA-N
XLogP-1.12
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine (CID 114401743) is 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine is CC(N)CNC1=NCCN1.
What is the InChIKey of 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine?
The InChIKey is FUZZVILYBVGVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-5(7)4-10-6-8-2-3-9-6/h5H,2-4,7H2,1H3,(H2,8,9,10).
What are the key properties of 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine?
1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine has a molecular weight of 142.21 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,5-dihydro-1H-imidazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 114401743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).