3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine

C6H11N3 — CID 67154125

IUPAC3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine
SMILESNC=CCN1C=NCC1
InChIInChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h1-2,6H,3-5,7H2
InChIKeyOOXQKWLWWZVUGF-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.20
Rot. Bonds2

About 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine

3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine (PubChem CID 67154125) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine
PubChem CID67154125
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine
SMILESNC=CCN1C=NCC1
InChIInChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h1-2,6H,3-5,7H2
InChIKeyOOXQKWLWWZVUGF-UHFFFAOYSA-N
XLogP-0.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine?
The IUPAC name of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine (CID 67154125) is 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine?
The canonical SMILES for 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine is NC=CCN1C=NCC1.
What is the InChIKey of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine?
The InChIKey is OOXQKWLWWZVUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h1-2,6H,3-5,7H2.
What are the key properties of 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine?
3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine has a molecular weight of 125.17 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydroimidazol-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 67154125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).