4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine

C15H22N2O — CID 163649205

IUPAC4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine
SMILESC=C1CC(NCC2=CNCCC2)=CC=C1OCC
InChIInChI=1S/C15H22N2O/c1-3-18-15-7-6-14(9-12(15)2)17-11-13-5-4-8-16-10-13/h6-7,10,16-17H,2-5,8-9,11H2,1H3
InChIKeyIKUMEPXZXYBCPJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.61
Rot. Bonds5

About 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine

4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 163649205) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine
PubChem CID163649205
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine
SMILESC=C1CC(NCC2=CNCCC2)=CC=C1OCC
InChIInChI=1S/C15H22N2O/c1-3-18-15-7-6-14(9-12(15)2)17-11-13-5-4-8-16-10-13/h6-7,10,16-17H,2-5,8-9,11H2,1H3
InChIKeyIKUMEPXZXYBCPJ-UHFFFAOYSA-N
XLogP2.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine (CID 163649205) is 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine is C=C1CC(NCC2=CNCCC2)=CC=C1OCC.
What is the InChIKey of 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is IKUMEPXZXYBCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-18-15-7-6-14(9-12(15)2)17-11-13-5-4-8-16-10-13/h6-7,10,16-17H,2-5,8-9,11H2,1H3.
What are the key properties of 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine?
4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methylidene-N-(1,2,3,4-tetrahydropyridin-5-ylmethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 163649205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).