4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen

C34H59N5 — CID 142583594

IUPAC4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen
SMILESC.C=C(NC1=CC2=CC(/C(N)=C/C)=CCC2(C)C=C1)C1=CC(N(C)C2CCN(C)CC2)=NCC1C.CC.CC.[H][H]
InChIInChI=1S/C29H41N5.2C2H6.CH4.H2/c1-7-27(30)22-8-12-29(4)13-9-24(17-23(29)16-22)32-21(3)26-18-28(31-19-20(26)2)34(6)25-10-14-33(5)15-11-25;2*1-2;;/h7-9,13,16-18,20,25,32H,3,10-12,14-15,19,30H2,1-2,4-6H3;2*1-2H3;1H4;1H/b27-7-;;;;
InChIKeyXRGOQWJETSPZOW-OTQXCBJVSA-N
MW537.88 g/mol
LogP7.60
Rot. Bonds5

About 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen

4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen (PubChem CID 142583594) has the molecular formula C34H59N5 and a molecular weight of 537.88 g/mol. Its IUPAC name is 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen.

Molecular Properties

Compound Name4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen
PubChem CID142583594
Molecular FormulaC34H59N5
Molecular Weight537.88 g/mol
Exact Mass537.48
IUPAC Name4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen
SMILESC.C=C(NC1=CC2=CC(/C(N)=C/C)=CCC2(C)C=C1)C1=CC(N(C)C2CCN(C)CC2)=NCC1C.CC.CC.[H][H]
InChIInChI=1S/C29H41N5.2C2H6.CH4.H2/c1-7-27(30)22-8-12-29(4)13-9-24(17-23(29)16-22)32-21(3)26-18-28(31-19-20(26)2)34(6)25-10-14-33(5)15-11-25;2*1-2;;/h7-9,13,16-18,20,25,32H,3,10-12,14-15,19,30H2,1-2,4-6H3;2*1-2H3;1H4;1H/b27-7-;;;;
InChIKeyXRGOQWJETSPZOW-OTQXCBJVSA-N
XLogP7.60
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.88
LogP ≤ 57.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen with MolForge

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Related Compounds

2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
6-[2-(3,4-dihydropyridin-3-yl)-4-methylimino-8,8a-dihydro-3H-quinazolin-6-yl]cyclohexa-1,3-dien-1-amine
CID 137285048
N-ethenyl-6-ethyl-4-[(E)-2,3,3-trimethyl-1-[2-methylidene-3-(4-methylidenepiperidin-1-yl)pyrazin-1-yl]but-1-enyl]cyclohexa-1,5-dien-1-amine
CID 139506711
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N-ethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510937
(2E)-1-[4-cyclopropylidene-7-[(2S,6S)-2,6-dimethylpiperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511148
(E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511150
4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
CID 142511178
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511208
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511249
4-cyclobutylidene-7-(4-ethyl-4-methylpiperidin-1-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrido[1,2-a]pyrimidine
CID 142511279
4-cyclobutylidene-7-(3,5-dimethylpiperazin-1-yl)-2-[(4E,6E,11Z)-4,12,13-trimethyl-3-methylidenepentadeca-4,6,11-trien-6-yl]pyrido[1,2-a]pyrimidine
CID 142511286

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen?
The IUPAC name of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen (CID 142583594) is 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen.
What is the SMILES notation for 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen?
The canonical SMILES for 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen is C.C=C(NC1=CC2=CC(/C(N)=C/C)=CCC2(C)C=C1)C1=CC(N(C)C2CCN(C)CC2)=NCC1C.CC.CC.[H][H].
What is the InChIKey of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen?
The InChIKey is XRGOQWJETSPZOW-OTQXCBJVSA-N. The full InChI is InChI=1S/C29H41N5.2C2H6.CH4.H2/c1-7-27(30)22-8-12-29(4)13-9-24(17-23(29)16-22)32-21(3)26-18-28(31-19-20(26)2)34(6)25-10-14-33(5)15-11-25;2*1-2;;/h7-9,13,16-18,20,25,32H,3,10-12,14-15,19,30H2,1-2,4-6H3;2*1-2H3;1H4;1H/b27-7-;;;;.
What are the key properties of 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen?
4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen has a molecular weight of 537.88 g/mol, XLogP of 7.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[7-[(Z)-1-aminoprop-1-enyl]-4a-methyl-5H-naphthalen-2-yl]amino]ethenyl]-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine;ethane;methane;molecular hydrogen is sourced from PubChem (CID 142583594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).