4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine

C14H24N4 — CID 106567600

IUPAC4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
SMILESC=CCn1cc(C)nc1NC(C)CN1CCCC1
InChIInChI=1S/C14H24N4/c1-4-7-18-11-13(3)16-14(18)15-12(2)10-17-8-5-6-9-17/h4,11-12H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyUGZKWJWAAYDFDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds6

About 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine

4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine (PubChem CID 106567600) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
PubChem CID106567600
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
SMILESC=CCn1cc(C)nc1NC(C)CN1CCCC1
InChIInChI=1S/C14H24N4/c1-4-7-18-11-13(3)16-14(18)15-12(2)10-17-8-5-6-9-17/h4,11-12H,1,5-10H2,2-3H3,(H,15,16)
InChIKeyUGZKWJWAAYDFDZ-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
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 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine (CID 106567600) is 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine is C=CCn1cc(C)nc1NC(C)CN1CCCC1.
What is the InChIKey of 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
The InChIKey is UGZKWJWAAYDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-7-18-11-13(3)16-14(18)15-12(2)10-17-8-5-6-9-17/h4,11-12H,1,5-10H2,2-3H3,(H,15,16).
What are the key properties of 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine?
4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106567600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).