1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine

C14H28N2O2 — CID 123543765

IUPAC1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine
SMILESCC=CC(NCCOC)C(OC)C1CCC(C)N1
InChIInChI=1S/C14H28N2O2/c1-5-6-12(15-9-10-17-3)14(18-4)13-8-7-11(2)16-13/h5-6,11-16H,7-10H2,1-4H3
InChIKeyJPFJIUJZCNDBCA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.32
Rot. Bonds8

About 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine

1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine (PubChem CID 123543765) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine
PubChem CID123543765
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine
SMILESCC=CC(NCCOC)C(OC)C1CCC(C)N1
InChIInChI=1S/C14H28N2O2/c1-5-6-12(15-9-10-17-3)14(18-4)13-8-7-11(2)16-13/h5-6,11-16H,7-10H2,1-4H3
InChIKeyJPFJIUJZCNDBCA-UHFFFAOYSA-N
XLogP1.32
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-2-(2-hydroxyethylamino)-1-(5-propylpyrrolidin-2-yl)pent-3-en-1-ol
CID 174315288
N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078217
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078709
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62079044
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62079069
N-[cyclohexen-1-yl-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330840
N-[cyclohexen-1-yl-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330956
N-[cyclopenten-1-yl-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331068
N-[cyclopenten-1-yl-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81331179
N-[cyclohepten-1-yl-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331293
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine?
The IUPAC name of 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine (CID 123543765) is 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine.
What is the SMILES notation for 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine?
The canonical SMILES for 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine is CC=CC(NCCOC)C(OC)C1CCC(C)N1.
What is the InChIKey of 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine?
The InChIKey is JPFJIUJZCNDBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-6-12(15-9-10-17-3)14(18-4)13-8-7-11(2)16-13/h5-6,11-16H,7-10H2,1-4H3.
What are the key properties of 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine?
1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine has a molecular weight of 256.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-methoxyethyl)-1-(5-methylpyrrolidin-2-yl)pent-3-en-2-amine is sourced from PubChem (CID 123543765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).