N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine

C9H18N2 — CID 62384356

IUPACN-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine
SMILESC=CCN1CCCC1CNC
InChIInChI=1S/C9H18N2/c1-3-6-11-7-4-5-9(11)8-10-2/h3,9-10H,1,4-8H2,2H3
InChIKeyYAGGKOCHRIZNOA-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds4

About N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine

N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine (PubChem CID 62384356) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine
PubChem CID62384356
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine
SMILESC=CCN1CCCC1CNC
InChIInChI=1S/C9H18N2/c1-3-6-11-7-4-5-9(11)8-10-2/h3,9-10H,1,4-8H2,2H3
InChIKeyYAGGKOCHRIZNOA-UHFFFAOYSA-N
XLogP0.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-enylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine (CID 62384356) is N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine is C=CCN1CCCC1CNC.
What is the InChIKey of N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine?
The InChIKey is YAGGKOCHRIZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-6-11-7-4-5-9(11)8-10-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine?
N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-prop-2-enylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 62384356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).