2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine

C13H26N2O — CID 107900698

IUPAC2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1CC=C(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)6-9-15-8-4-5-13(15)11-14-7-10-16-3/h6,13-14H,4-5,7-11H2,1-3H3
InChIKeyOJGBJLQQTYZJIF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 107900698) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID107900698
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN1CC=C(C)C
InChIInChI=1S/C13H26N2O/c1-12(2)6-9-15-8-4-5-13(15)11-14-7-10-16-3/h6,13-14H,4-5,7-11H2,1-3H3
InChIKeyOJGBJLQQTYZJIF-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
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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Related Compounds

N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 61214234
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
CID 61214668
2-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]ethanamine
CID 62580028
N'-(2-methoxyethyl)-N'-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]ethane-1,2-diamine
CID 62843077
2-methoxy-N-[[1-(3-methylbut-2-enyl)piperidin-2-yl]methyl]ethanamine
CID 63853216
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-methylprop-2-en-1-amine
CID 81811343
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylpropan-1-amine
CID 81811771
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 81811986
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-prop-2-enylpropan-2-amine
CID 81812046
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methyl-N-prop-2-enylpropan-2-amine
CID 81812260
2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070552
N-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070553

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine (CID 107900698) is 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine is COCCNCC1CCCN1CC=C(C)C.
What is the InChIKey of 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is OJGBJLQQTYZJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)6-9-15-8-4-5-13(15)11-14-7-10-16-3/h6,13-14H,4-5,7-11H2,1-3H3.
What are the key properties of 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methylbut-2-enyl)pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 107900698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).