1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine

C14H22N4 — CID 106566166

IUPAC1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C1CCN2CCCC12
InChIInChI=1S/C14H22N4/c1-3-7-15-14-16-11(2)10-18(14)13-6-9-17-8-4-5-12(13)17/h3,10,12-13H,1,4-9H2,2H3,(H,15,16)
InChIKeyGBADSCPJYSDHIT-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.20
Rot. Bonds4

About 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine

1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106566166) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106566166
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C1CCN2CCCC12
InChIInChI=1S/C14H22N4/c1-3-7-15-14-16-11(2)10-18(14)13-6-9-17-8-4-5-12(13)17/h3,10,12-13H,1,4-9H2,2H3,(H,15,16)
InChIKeyGBADSCPJYSDHIT-UHFFFAOYSA-N
XLogP2.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106566166) is 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1C1CCN2CCCC12.
What is the InChIKey of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is GBADSCPJYSDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-7-15-14-16-11(2)10-18(14)13-6-9-17-8-4-5-12(13)17/h3,10,12-13H,1,4-9H2,2H3,(H,15,16).
What are the key properties of 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine?
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106566166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).