2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine

C12H24N2O — CID 64583211

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(COC)C1
InChIInChI=1S/C12H24N2O/c1-4-6-13-8-11(2)14-7-5-12(9-14)10-15-3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyGYWGWJTZQCLOFZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.12
Rot. Bonds7

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine (PubChem CID 64583211) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine
PubChem CID64583211
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine
SMILESC=CCNCC(C)N1CCC(COC)C1
InChIInChI=1S/C12H24N2O/c1-4-6-13-8-11(2)14-7-5-12(9-14)10-15-3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyGYWGWJTZQCLOFZ-UHFFFAOYSA-N
XLogP1.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine (CID 64583211) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine is C=CCNCC(C)N1CCC(COC)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine?
The InChIKey is GYWGWJTZQCLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-13-8-11(2)14-7-5-12(9-14)10-15-3/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 64583211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).