N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine

C11H18N4 — CID 106553425

IUPACN-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
SMILESC=CCn1ccnc1N1CCC(NC)C1
InChIInChI=1S/C11H18N4/c1-3-6-14-8-5-13-11(14)15-7-4-10(9-15)12-2/h3,5,8,10,12H,1,4,6-7,9H2,2H3
InChIKeyWTWXLMQCUCXMCG-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine

N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine (PubChem CID 106553425) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
PubChem CID106553425
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
SMILESC=CCn1ccnc1N1CCC(NC)C1
InChIInChI=1S/C11H18N4/c1-3-6-14-8-5-13-11(14)15-7-4-10(9-15)12-2/h3,5,8,10,12H,1,4,6-7,9H2,2H3
InChIKeyWTWXLMQCUCXMCG-UHFFFAOYSA-N
XLogP0.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.87
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 N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine (CID 106553425) is N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine is C=CCn1ccnc1N1CCC(NC)C1.
What is the InChIKey of N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
The InChIKey is WTWXLMQCUCXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-6-14-8-5-13-11(14)15-7-4-10(9-15)12-2/h3,5,8,10,12H,1,4,6-7,9H2,2H3.
What are the key properties of N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 106553425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).