(Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine

C14H24N2O — CID 142562542

IUPAC(Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CC1=C(/C=C\CNCCOC)CCN(C)C1
InChIInChI=1S/C14H24N2O/c1-4-13-12-16(2)10-7-14(13)6-5-8-15-9-11-17-3/h4-6,15H,1,7-12H2,2-3H3/b6-5-
InChIKeyLNUXHRZFOUEPJZ-WAYWQWQTSA-N
MW236.36 g/mol
LogP1.60
Rot. Bonds7

About (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine

(Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 142562542) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID142562542
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CC1=C(/C=C\CNCCOC)CCN(C)C1
InChIInChI=1S/C14H24N2O/c1-4-13-12-16(2)10-7-14(13)6-5-8-15-9-11-17-3/h4-6,15H,1,7-12H2,2-3H3/b6-5-
InChIKeyLNUXHRZFOUEPJZ-WAYWQWQTSA-N
XLogP1.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.60
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 (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 142562542) is (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine is C=CC1=C(/C=C\CNCCOC)CCN(C)C1.
What is the InChIKey of (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is LNUXHRZFOUEPJZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-13-12-16(2)10-7-14(13)6-5-8-15-9-11-17-3/h4-6,15H,1,7-12H2,2-3H3/b6-5-.
What are the key properties of (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine?
(Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 142562542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).