2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine

C15H31NO2 — CID 103036779

IUPAC2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(CCC(C)(C)OC)CCCC1
InChIInChI=1S/C15H31NO2/c1-14(2,18-4)9-10-15(7-5-6-8-15)13-16-11-12-17-3/h16H,5-13H2,1-4H3
InChIKeyJTHIEICGKRIDCJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds9

About 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine

2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine (PubChem CID 103036779) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine
PubChem CID103036779
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine
SMILESCOCCNCC1(CCC(C)(C)OC)CCCC1
InChIInChI=1S/C15H31NO2/c1-14(2,18-4)9-10-15(7-5-6-8-15)13-16-11-12-17-3/h16H,5-13H2,1-4H3
InChIKeyJTHIEICGKRIDCJ-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine (CID 103036779) is 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine is COCCNCC1(CCC(C)(C)OC)CCCC1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine?
The InChIKey is JTHIEICGKRIDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2,18-4)9-10-15(7-5-6-8-15)13-16-11-12-17-3/h16H,5-13H2,1-4H3.
What are the key properties of 2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 9 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-methoxy-3-methylbutyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 103036779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).