N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane

C26H47N3 — CID 166548757

IUPACN-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane
SMILESC/C=c1/c(C)nnc(C)/c1=C/C(=C/CC)N(C)C(CC)CCC(C)CC.CCC
InChIInChI=1S/C23H39N3.C3H8/c1-9-13-21(26(8)20(11-3)15-14-17(5)10-2)16-23-19(7)25-24-18(6)22(23)12-4;1-3-2/h12-13,16-17,20H,9-11,14-15H2,1-8H3;3H2,1-2H3/b21-13-,22-12-,23-16-;
InChIKeyPAXIYOSBLCAFBK-BKVQZSFBSA-N
MW401.68 g/mol
LogP5.92
Rot. Bonds9

About N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane

N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane (PubChem CID 166548757) has the molecular formula C26H47N3 and a molecular weight of 401.68 g/mol. Its IUPAC name is N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane.

Molecular Properties

Compound NameN-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane
PubChem CID166548757
Molecular FormulaC26H47N3
Molecular Weight401.68 g/mol
Exact Mass401.38
IUPAC NameN-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane
SMILESC/C=c1/c(C)nnc(C)/c1=C/C(=C/CC)N(C)C(CC)CCC(C)CC.CCC
InChIInChI=1S/C23H39N3.C3H8/c1-9-13-21(26(8)20(11-3)15-14-17(5)10-2)16-23-19(7)25-24-18(6)22(23)12-4;1-3-2/h12-13,16-17,20H,9-11,14-15H2,1-8H3;3H2,1-2H3/b21-13-,22-12-,23-16-;
InChIKeyPAXIYOSBLCAFBK-BKVQZSFBSA-N
XLogP5.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane with MolForge

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Related Compounds

N-ethyl-3-[2-fluoro-5-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]-2H-pyrrol-4-yl]-N-methylhexan-2-amine
CID 139378441
N,N-diethyl-4-[6-[1-(4-heptylcyclohex-2-en-1-yl)ethylimino]-3-methylcyclohex-2-en-1-yl]but-1-en-2-amine
CID 91131011
N-[(1R)-cyclohexa-2,4-dien-1-yl]-N-[(1S,4R)-4-[(4S)-2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]-6-(4-methylcyclohexa-1,3-dien-1-yl)-3,4-dihydropyridin-4-yl]cyclohex-2-en-1-yl]cyclohexa-1,3-dien-1-amine
CID 117809588
N-but-2-en-2-yl-N,7,12-trimethyl-3-[1-(2-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethylidene]-4-prop-1-enylhexadeca-1,4,7,9,14-pentaen-8-amine
CID 123173713
N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
CID 123241621
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338
2,2-Diethyl-1-(5-ethylocta-2,6-dien-2-yl)-6-methyl-3,5-dimethylidene-4-prop-2-enylidenepyridin-1-ium
CID 123737759
N,6-dimethyl-N-[1-(4-methylidenecyclohexa-1,5-dien-1-yl)ethenyl]nonan-4-amine
CID 132039695
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
(6E)-6-ethylidene-5-[(4-methylcyclohexyl)methyl]-3-piperidin-1-yl-N-propylcyclohexa-2,4-dien-1-imine
CID 139420125
ethane;ethylcyclohexane;(4E,6Z)-6-[[(4Z,6Z)-6-ethylocta-4,6-dien-2-ylidene]amino]-5-methyl-2-methylidene-3-propan-2-ylidene-N,N-dipropylocta-4,6-dien-1-amine
CID 142919844
N,N',3,7-tetramethyl-N-(4-methylcyclohexa-1,3-dien-1-yl)-N'-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]nonane-1,9-diamine
CID 144942660

Frequently Asked Questions

What is the IUPAC name of N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane?
The IUPAC name of N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane (CID 166548757) is N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane.
What is the SMILES notation for N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane?
The canonical SMILES for N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane is C/C=c1/c(C)nnc(C)/c1=C/C(=C/CC)N(C)C(CC)CCC(C)CC.CCC.
What is the InChIKey of N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane?
The InChIKey is PAXIYOSBLCAFBK-BKVQZSFBSA-N. The full InChI is InChI=1S/C23H39N3.C3H8/c1-9-13-21(26(8)20(11-3)15-14-17(5)10-2)16-23-19(7)25-24-18(6)22(23)12-4;1-3-2/h12-13,16-17,20H,9-11,14-15H2,1-8H3;3H2,1-2H3/b21-13-,22-12-,23-16-;.
What are the key properties of N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane?
N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane has a molecular weight of 401.68 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,1E)-1-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]pent-2-en-2-yl]-N,6-dimethyloctan-3-amine;propane is sourced from PubChem (CID 166548757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).