1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine

C12H20N4 — CID 106563055

IUPAC1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC1CCN(C)C1
InChIInChI=1S/C12H20N4/c1-3-5-13-12-14-6-8-16(12)10-11-4-7-15(2)9-11/h3,6,8,11H,1,4-5,7,9-10H2,2H3,(H,13,14)
InChIKeyMWJXRQURQCRBGN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.43
Rot. Bonds5

About 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine

1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine (PubChem CID 106563055) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
PubChem CID106563055
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC1CCN(C)C1
InChIInChI=1S/C12H20N4/c1-3-5-13-12-14-6-8-16(12)10-11-4-7-15(2)9-11/h3,6,8,11H,1,4-5,7,9-10H2,2H3,(H,13,14)
InChIKeyMWJXRQURQCRBGN-UHFFFAOYSA-N
XLogP1.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.43
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-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine (CID 106563055) is 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1CC1CCN(C)C1.
What is the InChIKey of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine?
The InChIKey is MWJXRQURQCRBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-5-13-12-14-6-8-16(12)10-11-4-7-15(2)9-11/h3,6,8,11H,1,4-5,7,9-10H2,2H3,(H,13,14).
What are the key properties of 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine?
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106563055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).