N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene

C22H32N2O — CID 143040891

IUPACN-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene
SMILESC/C=C(C)/C=C/N(Cc1ccccc1)C1=CCNCC1.C=CCOC
InChIInChI=1S/C18H24N2.C4H8O/c1-3-16(2)11-14-20(18-9-12-19-13-10-18)15-17-7-5-4-6-8-17;1-3-4-5-2/h3-9,11,14,19H,10,12-13,15H2,1-2H3;3H,1,4H2,2H3/b14-11+,16-3+;
InChIKeyJFNALGFNSPYSOF-PHJSOODXSA-N
MW340.51 g/mol
LogP4.66
Rot. Bonds7

About N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene

N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene (PubChem CID 143040891) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene.

Molecular Properties

Compound NameN-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene
PubChem CID143040891
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC NameN-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene
SMILESC/C=C(C)/C=C/N(Cc1ccccc1)C1=CCNCC1.C=CCOC
InChIInChI=1S/C18H24N2.C4H8O/c1-3-16(2)11-14-20(18-9-12-19-13-10-18)15-17-7-5-4-6-8-17;1-3-4-5-2/h3-9,11,14,19H,10,12-13,15H2,1-2H3;3H,1,4H2,2H3/b14-11+,16-3+;
InChIKeyJFNALGFNSPYSOF-PHJSOODXSA-N
XLogP4.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-(3-methoxypropyl)piperidin-4-amine
CID 2245150
N-(1-phenylethenyl)-1-propylpiperidin-4-amine;trifluoro(methoxy)methane
CID 91131004
1-[(Z)-2-[1-fluoro-5-(methylamino)pentan-3-yl]oxyethenyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 138724206
N-benzyl-N-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;ethane;3-(trifluoromethoxy)prop-1-ene
CID 143040842
N-[1-[1-[(3-fluoro-4-methylphenyl)methyl]-2-methylidene-3-pyridinyl]ethenyl]prop-2-en-1-amine
CID 143605340
(7Z)-8-(2,6-difluorophenyl)-4-(6-ethoxy-4-methoxy-1,2-dihydropyridin-3-yl)-6-methylidene-1,2,3,5-tetrahydro-1,4-diazocine
CID 144790058
N-[(3-fluorophenyl)methyl]-3-[5-[(2E,4E)-6-methyl-5-morpholin-4-ylhepta-2,4,6-trien-2-yl]-1,2-dihydropyridin-2-yl]prop-1-en-2-amine
CID 155017062
N-[(2-fluorophenyl)methyl]-4-methoxybut-1-en-2-amine
CID 166967445
[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 134867562
N-ethyl-1-(3-fluorophenyl)-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63008293
1-(3-fluorophenyl)-N'-(3-methoxypropyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 63008294
N-ethyl-1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N'-methylpropane-1,3-diamine
CID 63008474

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene?
The IUPAC name of N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene (CID 143040891) is N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene.
What is the SMILES notation for N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene?
The canonical SMILES for N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene is C/C=C(C)/C=C/N(Cc1ccccc1)C1=CCNCC1.C=CCOC.
What is the InChIKey of N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene?
The InChIKey is JFNALGFNSPYSOF-PHJSOODXSA-N. The full InChI is InChI=1S/C18H24N2.C4H8O/c1-3-16(2)11-14-20(18-9-12-19-13-10-18)15-17-7-5-4-6-8-17;1-3-4-5-2/h3-9,11,14,19H,10,12-13,15H2,1-2H3;3H,1,4H2,2H3/b14-11+,16-3+;.
What are the key properties of N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene?
N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene has a molecular weight of 340.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,2,3,6-tetrahydropyridin-4-amine;3-methoxyprop-1-ene is sourced from PubChem (CID 143040891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).