6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine

C15H24N2O — CID 68725571

IUPAC6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1(N)C1=CCCN(C(C)C)C1
InChIInChI=1S/C15H24N2O/c1-12(2)17-10-6-7-13(11-17)15(16)9-5-4-8-14(15)18-3/h4-5,7-9,12,14H,6,10-11,16H2,1-3H3
InChIKeyWCDNRQZYWCQLPS-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.87
Rot. Bonds3

About 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine

6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 68725571) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine
PubChem CID68725571
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine
SMILESCOC1C=CC=CC1(N)C1=CCCN(C(C)C)C1
InChIInChI=1S/C15H24N2O/c1-12(2)17-10-6-7-13(11-17)15(16)9-5-4-8-14(15)18-3/h4-5,7-9,12,14H,6,10-11,16H2,1-3H3
InChIKeyWCDNRQZYWCQLPS-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine (CID 68725571) is 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine is COC1C=CC=CC1(N)C1=CCCN(C(C)C)C1.
What is the InChIKey of 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?
The InChIKey is WCDNRQZYWCQLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17-10-6-7-13(11-17)15(16)9-5-4-8-14(15)18-3/h4-5,7-9,12,14H,6,10-11,16H2,1-3H3.
What are the key properties of 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?
6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 68725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).