1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine

C13H16N4 — CID 106554400

IUPAC1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NCCc1ccccn1
InChIInChI=1S/C13H16N4/c1-2-10-17-11-9-16-13(17)15-8-6-12-5-3-4-7-14-12/h2-5,7,9,11H,1,6,8,10H2,(H,15,16)
InChIKeyAEWMWXBDKYMTQF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.12
Rot. Bonds6

About 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine

1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine (PubChem CID 106554400) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
PubChem CID106554400
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NCCc1ccccn1
InChIInChI=1S/C13H16N4/c1-2-10-17-11-9-16-13(17)15-8-6-12-5-3-4-7-14-12/h2-5,7,9,11H,1,6,8,10H2,(H,15,16)
InChIKeyAEWMWXBDKYMTQF-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfinylpropyl)-1-prop-2-enylimidazol-2-amine
CID 106580517
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549
1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 58869665
N-ethyl-1-(pyridin-2-ylmethyl)imidazol-2-amine
CID 106559547
1-(1-methoxypropan-2-yl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554399
N-cyclopentyl-1-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554398
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
CID 107605118
1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571941
N-(2-pyridin-2-ylethyl)pyrrol-1-amine
CID 79100287
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
2-prop-2-enylpyridine
CID 3015241
4-methyl-1-(2-methylpropyl)-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554402

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine (CID 106554400) is 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine is C=CCn1ccnc1NCCc1ccccn1.
What is the InChIKey of 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine?
The InChIKey is AEWMWXBDKYMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-10-17-11-9-16-13(17)15-8-6-12-5-3-4-7-14-12/h2-5,7,9,11H,1,6,8,10H2,(H,15,16).
What are the key properties of 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine?
1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106554400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).