(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine

C19H29NO — CID 155746533

IUPAC(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine
SMILESC=CC(=C)C/C(=C/C(=C/C)/C=C(\CCNC)C(=C)C)OC
InChIInChI=1S/C19H29NO/c1-8-16(5)12-19(21-7)14-17(9-2)13-18(15(3)4)10-11-20-6/h8-9,13-14,20H,1,3,5,10-12H2,2,4,6-7H3/b17-9+,18-13-,19-14-
InChIKeyHTWWYZDMTZGSNE-YLPGSLASSA-N
MW287.45 g/mol
LogP4.71
Rot. Bonds10

About (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine

(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine (PubChem CID 155746533) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine.

Molecular Properties

Compound Name(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine
PubChem CID155746533
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine
SMILESC=CC(=C)C/C(=C/C(=C/C)/C=C(\CCNC)C(=C)C)OC
InChIInChI=1S/C19H29NO/c1-8-16(5)12-19(21-7)14-17(9-2)13-18(15(3)4)10-11-20-6/h8-9,13-14,20H,1,3,5,10-12H2,2,4,6-7H3/b17-9+,18-13-,19-14-
InChIKeyHTWWYZDMTZGSNE-YLPGSLASSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.71
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,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(2-fluoro-4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123146933
(E,4E)-3-ethyl-4-(1-fluoroprop-2-enylidene)-6-methoxy-N-methyloct-5-en-1-amine
CID 134301409
1,4-cyclohexadiene-1-ethanamine, 5-methoxy-N-methyl-
CID 637853
1-Methoxy-4-(3-n-propylamino)propyl-1,4-cyclohexadiene
CID 13650421
3-ethyl-6-methoxy-N-(5-methylhex-5-enyl)hepta-3,5-dien-1-amine
CID 123331927
(3Z,5Z,7E,9Z)-N-[(2E,3Z,5E)-3-ethyl-2-ethylidene-6-methoxyhepta-3,5-dienyl]-5,6,7,10-tetramethyldodeca-1,3,5,7,9-pentaen-2-amine
CID 134268359
(E,4E)-4-(1-chloroprop-2-enylidene)-3-ethyl-6-methoxy-N-methyloct-5-en-1-amine
CID 134301556
2-(4-methoxycyclohepta-1,3,6-trien-1-yl)-N-methylethanamine
CID 142206940
N-[2-(4-methoxycyclohepta-1,4,6-trien-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 142256484
ethane;4-[(3E,5E)-6-methoxyhexa-1,3,5-trien-3-yl]-1,2,3,6-tetrahydropyridine
CID 142929004
3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
CID 143088498
ethane;(E)-N-ethyl-6-(2-methoxy-5-methylcyclohexa-1,5-dien-1-yl)hex-5-en-1-amine;molecular hydrogen
CID 143806682

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine?
The IUPAC name of (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine (CID 155746533) is (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine.
What is the SMILES notation for (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine?
The canonical SMILES for (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine is C=CC(=C)C/C(=C/C(=C/C)/C=C(\CCNC)C(=C)C)OC.
What is the InChIKey of (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine?
The InChIKey is HTWWYZDMTZGSNE-YLPGSLASSA-N. The full InChI is InChI=1S/C19H29NO/c1-8-16(5)12-19(21-7)14-17(9-2)13-18(15(3)4)10-11-20-6/h8-9,13-14,20H,1,3,5,10-12H2,2,4,6-7H3/b17-9+,18-13-,19-14-.
What are the key properties of (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine?
(3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6Z)-5-ethylidene-7-methoxy-N-methyl-9-methylidene-3-prop-1-en-2-ylundeca-3,6,10-trien-1-amine is sourced from PubChem (CID 155746533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).