(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane

C28H57N — CID 143695702

IUPAC(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane
SMILESC.C=C/C=C(C)\C(C)=C\C=C/C.CC.CC.CC.CCC(C)(C)C=C/C=C/CN
InChIInChI=1S/C11H16.C10H19N.3C2H6.CH4/c1-5-7-9-11(4)10(3)8-6-2;1-4-10(2,3)8-6-5-7-9-11;3*1-2;/h5-9H,2H2,1,3-4H3;5-8H,4,9,11H2,1-3H3;3*1-2H3;1H4/b7-5-,10-8-,11-9+;7-5+,8-6?;;;;
InChIKeyHJMUZJRPGHHEEN-ZGTYLVNCSA-N
MW407.77 g/mol
LogP9.85
Rot. Bonds7

About (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane

(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane (PubChem CID 143695702) has the molecular formula C28H57N and a molecular weight of 407.77 g/mol. Its IUPAC name is (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane.

Molecular Properties

Compound Name(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane
PubChem CID143695702
Molecular FormulaC28H57N
Molecular Weight407.77 g/mol
Exact Mass407.45
IUPAC Name(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane
SMILESC.C=C/C=C(C)\C(C)=C\C=C/C.CC.CC.CC.CCC(C)(C)C=C/C=C/CN
InChIInChI=1S/C11H16.C10H19N.3C2H6.CH4/c1-5-7-9-11(4)10(3)8-6-2;1-4-10(2,3)8-6-5-7-9-11;3*1-2;/h5-9H,2H2,1,3-4H3;5-8H,4,9,11H2,1-3H3;3*1-2H3;1H4/b7-5-,10-8-,11-9+;7-5+,8-6?;;;;
InChIKeyHJMUZJRPGHHEEN-ZGTYLVNCSA-N
XLogP9.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.77
LogP ≤ 59.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane with MolForge

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Related Compounds

(3E,5E)-4,5-dimethylhepta-1,3,5-triene;ethane;propane
CID 156821319
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
3-methylocta-4,6-dien-3-ol
CID 71319596
(2E,4E,6E)-nona-2,4,6,8-tetraen-1-amine
CID 101175233
methane;penta-1,3-diene;pent-2-ene
CID 158883793
ethane;(3E,5Z)-5-methylhepta-1,3,5-triene-4-thiol
CID 144628766
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
ethane;(3E,6E,8Z)-6-methyl-5-methylidene-4-methylsulfinyldeca-1,3,6,8-tetraene
CID 145179870
methane;(3E)-penta-1,3-diene;propane
CID 143129609

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane?
The IUPAC name of (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane (CID 143695702) is (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane.
What is the SMILES notation for (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane?
The canonical SMILES for (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane is C.C=C/C=C(C)\C(C)=C\C=C/C.CC.CC.CC.CCC(C)(C)C=C/C=C/CN.
What is the InChIKey of (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane?
The InChIKey is HJMUZJRPGHHEEN-ZGTYLVNCSA-N. The full InChI is InChI=1S/C11H16.C10H19N.3C2H6.CH4/c1-5-7-9-11(4)10(3)8-6-2;1-4-10(2,3)8-6-5-7-9-11;3*1-2;/h5-9H,2H2,1,3-4H3;5-8H,4,9,11H2,1-3H3;3*1-2H3;1H4/b7-5-,10-8-,11-9+;7-5+,8-6?;;;;.
What are the key properties of (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane?
(3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane has a molecular weight of 407.77 g/mol, XLogP of 9.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7Z)-4,5-dimethylnona-1,3,5,7-tetraene;(2E)-6,6-dimethylocta-2,4-dien-1-amine;ethane;methane is sourced from PubChem (CID 143695702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).