methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene

C25H33N — CID 142469835

IUPACmethanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene
SMILESC=C(/C=C\C)/C=C\C=C(/C)c1ccc(C)cc1.CN.Cc1ccccc1
InChIInChI=1S/C17H20.C7H8.CH5N/c1-5-7-14(2)8-6-9-16(4)17-12-10-15(3)11-13-17;1-7-5-3-2-4-6-7;1-2/h5-13H,2H2,1,3-4H3;2-6H,1H3;2H2,1H3/b7-5-,8-6-,16-9+;;
InChIKeyTTYFNTIBLBXKGG-KTMZVHIZSA-N
MW347.55 g/mol
LogP6.66
Rot. Bonds4

About methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene

methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene (PubChem CID 142469835) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene.

Molecular Properties

Compound Namemethanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene
PubChem CID142469835
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Namemethanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene
SMILESC=C(/C=C\C)/C=C\C=C(/C)c1ccc(C)cc1.CN.Cc1ccccc1
InChIInChI=1S/C17H20.C7H8.CH5N/c1-5-7-14(2)8-6-9-16(4)17-12-10-15(3)11-13-17;1-7-5-3-2-4-6-7;1-2/h5-13H,2H2,1,3-4H3;2-6H,1H3;2H2,1H3/b7-5-,8-6-,16-9+;;
InChIKeyTTYFNTIBLBXKGG-KTMZVHIZSA-N
XLogP6.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene with MolForge

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Related Compounds

1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1-methyl-4-(4-phenylpenta-1,3-dienyl)benzene
CID 54269613
(3Z,5Z)-3-methylhepta-1,3,5-triene;toluene;1,4-xylene
CID 143762679
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
bis(2-methylprop-1-ene);toluene
CID 158339604
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
[(2E,5Z)-4-methylidenehepta-2,5-dien-3-yl]benzene
CID 153494817
(2E,4E)-5-(6-methylnaphthalen-2-yl)hexa-2,4-dienoic acid
CID 116822604
1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-(4-methylphenoxy)benzene
CID 143744934
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene?
The IUPAC name of methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene (CID 142469835) is methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene.
What is the SMILES notation for methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene?
The canonical SMILES for methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene is C=C(/C=C\C)/C=C\C=C(/C)c1ccc(C)cc1.CN.Cc1ccccc1.
What is the InChIKey of methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene?
The InChIKey is TTYFNTIBLBXKGG-KTMZVHIZSA-N. The full InChI is InChI=1S/C17H20.C7H8.CH5N/c1-5-7-14(2)8-6-9-16(4)17-12-10-15(3)11-13-17;1-7-5-3-2-4-6-7;1-2/h5-13H,2H2,1,3-4H3;2-6H,1H3;2H2,1H3/b7-5-,8-6-,16-9+;;.
What are the key properties of methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene?
methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene has a molecular weight of 347.55 g/mol, XLogP of 6.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1-methyl-4-[(2E,4Z,7Z)-6-methylidenenona-2,4,7-trien-2-yl]benzene;toluene is sourced from PubChem (CID 142469835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).