1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine

C13H23NO — CID 45094171

IUPAC1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine
SMILESC=C(C)CC1(CNC)CCC=C1OCC
InChIInChI=1S/C13H23NO/c1-5-15-12-7-6-8-13(12,10-14-4)9-11(2)3/h7,14H,2,5-6,8-10H2,1,3-4H3
InChIKeyAWHMUXNGECLQGI-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.87
Rot. Bonds6

About 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine

1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine (PubChem CID 45094171) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine
PubChem CID45094171
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine
SMILESC=C(C)CC1(CNC)CCC=C1OCC
InChIInChI=1S/C13H23NO/c1-5-15-12-7-6-8-13(12,10-14-4)9-11(2)3/h7,14H,2,5-6,8-10H2,1,3-4H3
InChIKeyAWHMUXNGECLQGI-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine (CID 45094171) is 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine is C=C(C)CC1(CNC)CCC=C1OCC.
What is the InChIKey of 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine?
The InChIKey is AWHMUXNGECLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-15-12-7-6-8-13(12,10-14-4)9-11(2)3/h7,14H,2,5-6,8-10H2,1,3-4H3.
What are the key properties of 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine?
1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-1-(2-methylprop-2-enyl)cyclopent-2-en-1-yl]-N-methylmethanamine is sourced from PubChem (CID 45094171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).