N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine

C12H24N2O2 — CID 103339373

IUPACN-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CC(OC)CN1
InChIInChI=1S/C12H24N2O2/c1-4-5-14(6-7-15-2)10-11-8-12(16-3)9-13-11/h4,11-13H,1,5-10H2,2-3H3
InChIKeyAOBJLBIKMOGVJM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.50
Rot. Bonds8

About N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine

N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine (PubChem CID 103339373) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
PubChem CID103339373
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CC(OC)CN1
InChIInChI=1S/C12H24N2O2/c1-4-5-14(6-7-15-2)10-11-8-12(16-3)9-13-11/h4,11-13H,1,5-10H2,2-3H3
InChIKeyAOBJLBIKMOGVJM-UHFFFAOYSA-N
XLogP0.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
CID 61215107
N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 103339487
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
CID 55002787
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
N-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870140
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339279
N-(2-methoxyethyl)-N-(2-pyrrolidin-2-ylethyl)prop-2-en-1-amine
CID 103339292
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339453
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
(4-methoxypyrrolidin-2-yl)methyl N-(2-methoxyethyl)-N-methylcarbamate;2-methylpropane
CID 159126174

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine (CID 103339373) is N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine is C=CCN(CCOC)CC1CC(OC)CN1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is AOBJLBIKMOGVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-14(6-7-15-2)10-11-8-12(16-3)9-13-11/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 228.34 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103339373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).