1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine

C8H15N3 — CID 67652156

IUPAC1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESC=CCC1CN=C(C(C)N)N1
InChIInChI=1S/C8H15N3/c1-3-4-7-5-10-8(11-7)6(2)9/h3,6-7H,1,4-5,9H2,2H3,(H,10,11)
InChIKeyPNACXUIOVRIEFD-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds3

About 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine

1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine (PubChem CID 67652156) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
PubChem CID67652156
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine
SMILESC=CCC1CN=C(C(C)N)N1
InChIInChI=1S/C8H15N3/c1-3-4-7-5-10-8(11-7)6(2)9/h3,6-7H,1,4-5,9H2,2H3,(H,10,11)
InChIKeyPNACXUIOVRIEFD-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
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 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The IUPAC name of 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine (CID 67652156) is 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine is C=CCC1CN=C(C(C)N)N1.
What is the InChIKey of 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
The InChIKey is PNACXUIOVRIEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-7-5-10-8(11-7)6(2)9/h3,6-7H,1,4-5,9H2,2H3,(H,10,11).
What are the key properties of 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine?
1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-2-enyl-4,5-dihydro-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 67652156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).