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

C12H24N2O — CID 103339289

IUPACN-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1NCCC1C
InChIInChI=1S/C12H24N2O/c1-4-7-14(8-9-15-3)10-12-11(2)5-6-13-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyQRGHSUHEZVRTIJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.12
Rot. Bonds7

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

N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine (PubChem CID 103339289) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
PubChem CID103339289
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1NCCC1C
InChIInChI=1S/C12H24N2O/c1-4-7-14(8-9-15-3)10-12-11(2)5-6-13-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyQRGHSUHEZVRTIJ-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine (CID 103339289) is N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine is C=CCN(CCOC)CC1NCCC1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is QRGHSUHEZVRTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-7-14(8-9-15-3)10-12-11(2)5-6-13-12/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-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 N-(2-methoxyethyl)-N-[(3-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103339289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).