2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine

C14H24N2O — CID 170396915

IUPAC2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
SMILESC/C=C1/CNC=C(CCN(C)C)/C1=C/COC
InChIInChI=1S/C14H24N2O/c1-5-12-10-15-11-13(6-8-16(2)3)14(12)7-9-17-4/h5,7,11,15H,6,8-10H2,1-4H3/b12-5-,14-7+
InChIKeyUAEHHNKTGUKKGO-HLMWZFKFSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds5

About 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine

2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine (PubChem CID 170396915) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
PubChem CID170396915
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
SMILESC/C=C1/CNC=C(CCN(C)C)/C1=C/COC
InChIInChI=1S/C14H24N2O/c1-5-12-10-15-11-13(6-8-16(2)3)14(12)7-9-17-4/h5,7,11,15H,6,8-10H2,1-4H3/b12-5-,14-7+
InChIKeyUAEHHNKTGUKKGO-HLMWZFKFSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[2-methoxy-4-(trifluoromethyl)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
CID 166008876
4-[3-(methoxymethyl)-1-methyl-2H-pyridin-5-yl]but-3-en-1-amine
CID 54197950
(1-ethyl-2-methoxy-2H-pyridin-5-yl)methanamine
CID 69647446
(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine
CID 143826661
N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine
CID 154939627
2-(6-methoxy-5-methyl-1,4,6,7-tetrahydroquinolin-3-yl)-N,N-dimethylethanamine
CID 169960219
N-ethyl-6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 114413507
6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylhexan-1-amine
CID 114413561
(Z,3Z)-6-methoxy-3-(2-methoxyethylidene)-N,4-dimethylhex-4-en-1-amine
CID 142112265
(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine
CID 143680515
2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine
CID 158476464

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine (CID 170396915) is 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine is C/C=C1/CNC=C(CCN(C)C)/C1=C/COC.
What is the InChIKey of 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
The InChIKey is UAEHHNKTGUKKGO-HLMWZFKFSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12-10-15-11-13(6-8-16(2)3)14(12)7-9-17-4/h5,7,11,15H,6,8-10H2,1-4H3/b12-5-,14-7+.
What are the key properties of 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine?
2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 170396915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).