(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine

C11H17NO — CID 89364330

IUPAC(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=C(/C=C\C=C/N)/C=C/COCC
InChIInChI=1S/C11H17NO/c1-3-13-10-6-8-11(2)7-4-5-9-12/h4-9H,2-3,10,12H2,1H3/b7-4-,8-6+,9-5-
InChIKeyCXEHTVHKXKVUJJ-MRRKOCEYSA-N
MW179.26 g/mol
LogP2.16
Rot. Bonds6

About (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine

(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine (PubChem CID 89364330) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
PubChem CID89364330
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine
SMILESC=C(/C=C\C=C/N)/C=C/COCC
InChIInChI=1S/C11H17NO/c1-3-13-10-6-8-11(2)7-4-5-9-12/h4-9H,2-3,10,12H2,1H3/b7-4-,8-6+,9-5-
InChIKeyCXEHTVHKXKVUJJ-MRRKOCEYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
CID 143959035
(3E,6E)-8-ethoxy-2,6-dimethylocta-1,3,6-triene
CID 59055880
(1Z,4Z,6Z)-8-methylidenedeca-1,4,6,9-tetraen-1-amine
CID 134238863
1,2-diethoxyethane;ethenamine
CID 160675526
1-chloro-4-ethoxybut-2-ene
CID 567303
(Z)-but-2-ene;ethane;(E)-1-ethoxybut-2-ene
CID 142112928
ethoxyethane;2-methylprop-1-ene
CID 19913928
(E)-3-[(E)-3-aminoprop-2-enoxy]prop-1-en-1-amine
CID 67841047
4-ethoxypenta-2,4-dienyl acetate
CID 123296017
ethyl (E)-4-but-3-enoxybut-2-enoate
CID 80545662
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;formaldehyde
CID 174286087

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine?
The IUPAC name of (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine (CID 89364330) is (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine.
What is the SMILES notation for (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine?
The canonical SMILES for (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine is C=C(/C=C\C=C/N)/C=C/COCC.
What is the InChIKey of (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine?
The InChIKey is CXEHTVHKXKVUJJ-MRRKOCEYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-13-10-6-8-11(2)7-4-5-9-12/h4-9H,2-3,10,12H2,1H3/b7-4-,8-6+,9-5-.
What are the key properties of (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine?
(1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6E)-8-ethoxy-5-methylideneocta-1,3,6-trien-1-amine is sourced from PubChem (CID 89364330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).