N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine

C9H15N3 — CID 67743104

IUPACN,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine
SMILESC=CCNN1CCN=C1CC=C
InChIInChI=1S/C9H15N3/c1-3-5-9-10-7-8-12(9)11-6-4-2/h3-4,11H,1-2,5-8H2
InChIKeyULJUQXRLIFVHEI-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.97
Rot. Bonds5

About N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine

N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine (PubChem CID 67743104) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound NameN,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine
PubChem CID67743104
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine
SMILESC=CCNN1CCN=C1CC=C
InChIInChI=1S/C9H15N3/c1-3-5-9-10-7-8-12(9)11-6-4-2/h3-4,11H,1-2,5-8H2
InChIKeyULJUQXRLIFVHEI-UHFFFAOYSA-N
XLogP0.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine?
The IUPAC name of N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine (CID 67743104) is N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine?
The canonical SMILES for N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine is C=CCNN1CCN=C1CC=C.
What is the InChIKey of N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine?
The InChIKey is ULJUQXRLIFVHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-5-9-10-7-8-12(9)11-6-4-2/h3-4,11H,1-2,5-8H2.
What are the key properties of N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine?
N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(prop-2-enyl)-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 67743104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).