(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine

C21H35NO — CID 144896590

IUPAC(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCCC)OCC.CN
InChIInChI=1S/C20H30O.CH5N/c1-8-10-11-16(3)17(4)12-13-18(5)19(6)14-15-20(7)21-9-2;1-2/h12-16H,4-11H2,1-3H3;2H2,1H3/b13-12-,15-14-;
InChIKeyZCDBEDAIBXKYRJ-ZABJIEAISA-N
MW317.52 g/mol
LogP5.72
Rot. Bonds11

About (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine

(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine (PubChem CID 144896590) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine.

Molecular Properties

Compound Name(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine
PubChem CID144896590
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine
SMILESC=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCCC)OCC.CN
InChIInChI=1S/C20H30O.CH5N/c1-8-10-11-16(3)17(4)12-13-18(5)19(6)14-15-20(7)21-9-2;1-2/h12-16H,4-11H2,1-3H3;2H2,1H3/b13-12-,15-14-;
InChIKeyZCDBEDAIBXKYRJ-ZABJIEAISA-N
XLogP5.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine with MolForge

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Related Compounds

(7Z,9E,11E)-9-[(E)-2,3-dimethyl-4-methylidenehex-2-enoxy]-4-ethyl-3,12-dimethyltetradeca-1,2,7,9,11-pentaene
CID 129308690
(3Z,7Z)-4-ethyl-2-methoxy-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7-triene;methanamine;propane;hydrate
CID 142282503
ethane;(3Z,5Z)-2-ethoxy-8-ethylundeca-1,3,5-triene
CID 143325885
ethane;1-ethenyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3,5,5-trimethyl-2-[(Z)-prop-1-enyl]cyclopentene;methanamine;(3E)-3-methoxyhexa-1,3,5-triene
CID 144746919
(3Z)-2-ethoxy-6-methyl-5-methylidenedeca-1,3-diene
CID 145154512
(Z,3E)-3-(2-butan-2-yloxyethylidene)-2-ethyl-7-methyloct-4-en-1-amine
CID 163805911
(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene
CID 142281126

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine?
The IUPAC name of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine (CID 144896590) is (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine.
What is the SMILES notation for (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine?
The canonical SMILES for (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine is C=C(/C=C\C(=C)C(=C)/C=C\C(=C)C(C)CCCC)OCC.CN.
What is the InChIKey of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine?
The InChIKey is ZCDBEDAIBXKYRJ-ZABJIEAISA-N. The full InChI is InChI=1S/C20H30O.CH5N/c1-8-10-11-16(3)17(4)12-13-18(5)19(6)14-15-20(7)21-9-2;1-2/h12-16H,4-11H2,1-3H3;2H2,1H3/b13-12-,15-14-;.
What are the key properties of (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine?
(3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine has a molecular weight of 317.52 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-2-ethoxy-10-methyl-5,6,9-trimethylidenetetradeca-1,3,7-triene;methanamine is sourced from PubChem (CID 144896590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).