(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine

C19H29N3O — CID 46990062

IUPAC(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1Cc1nccn1CCOC
InChIInChI=1S/C19H29N3O/c1-5-7-17-13-16(3)14-18(8-6-2)22(17)15-19-20-9-10-21(19)11-12-23-4/h5-6,9-10,13,17-18H,1-2,7-8,11-12,14-15H2,3-4H3/t17-,18-/m0/s1
InChIKeyZGTBQELLAUPABZ-ROUUACIJSA-N
MW315.46 g/mol
LogP3.57
Rot. Bonds9

About (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine

(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine (PubChem CID 46990062) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine
PubChem CID46990062
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1Cc1nccn1CCOC
InChIInChI=1S/C19H29N3O/c1-5-7-17-13-16(3)14-18(8-6-2)22(17)15-19-20-9-10-21(19)11-12-23-4/h5-6,9-10,13,17-18H,1-2,7-8,11-12,14-15H2,3-4H3/t17-,18-/m0/s1
InChIKeyZGTBQELLAUPABZ-ROUUACIJSA-N
XLogP3.57
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine (CID 46990062) is (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine is C=CC[C@H]1CC(C)=C[C@H](CC=C)N1Cc1nccn1CCOC.
What is the InChIKey of (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine?
The InChIKey is ZGTBQELLAUPABZ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H29N3O/c1-5-7-17-13-16(3)14-18(8-6-2)22(17)15-19-20-9-10-21(19)11-12-23-4/h5-6,9-10,13,17-18H,1-2,7-8,11-12,14-15H2,3-4H3/t17-,18-/m0/s1.
What are the key properties of (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine?
(2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine has a molecular weight of 315.46 g/mol, XLogP of 3.57, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 46990062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).