N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine

C13H26N2O — CID 106617524

IUPACN-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine
SMILESCOCCN(CC=C(C)C)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-12(2)6-8-15(9-10-16-3)11-13-5-4-7-14-13/h6,13-14H,4-5,7-11H2,1-3H3
InChIKeyXBVNHPCXGXVVMX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine

N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine (PubChem CID 106617524) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine
PubChem CID106617524
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine
SMILESCOCCN(CC=C(C)C)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-12(2)6-8-15(9-10-16-3)11-13-5-4-7-14-13/h6,13-14H,4-5,7-11H2,1-3H3
InChIKeyXBVNHPCXGXVVMX-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': '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 N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine (CID 106617524) is N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine is COCCN(CC=C(C)C)CC1CCCN1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine?
The InChIKey is XBVNHPCXGXVVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)6-8-15(9-10-16-3)11-13-5-4-7-14-13/h6,13-14H,4-5,7-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine?
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine 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 N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-2-en-1-amine is sourced from PubChem (CID 106617524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).