(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine

C10H19NO2 — CID 163639655

IUPAC(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine
SMILESCC/C(=C\C(N)=C(\CC)OC)OC
InChIInChI=1S/C10H19NO2/c1-5-8(12-3)7-9(11)10(6-2)13-4/h7H,5-6,11H2,1-4H3/b8-7+,10-9+
InChIKeyIDDNPWNMHQDFLO-XBLVEGMJSA-N
MW185.27 g/mol
LogP2.15
Rot. Bonds5

About (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine

(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine (PubChem CID 163639655) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine.

Molecular Properties

Compound Name(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine
PubChem CID163639655
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine
SMILESCC/C(=C\C(N)=C(\CC)OC)OC
InChIInChI=1S/C10H19NO2/c1-5-8(12-3)7-9(11)10(6-2)13-4/h7H,5-6,11H2,1-4H3/b8-7+,10-9+
InChIKeyIDDNPWNMHQDFLO-XBLVEGMJSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
CID 138711458
2,5-Dimethoxycyclohexa-1,5-dien-1-amine
CID 89025909
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
Ethane;molecular hydrogen;4-propoxycyclohepta-1,3,6-trien-1-amine
CID 141975281
ethane;(2Z,4Z)-2-methoxyhexa-2,4-dien-3-amine
CID 141984523
ethane;(3E)-4-methoxypenta-1,3-dien-2-amine
CID 142106438
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
ethane;(3E)-4-methoxypenta-1,3-dien-2-amine;molecular hydrogen
CID 142580697
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
CID 143329605
(3Z)-4-methoxy-5,5-dimethylhexa-1,3-dien-2-amine;molecular hydrogen
CID 144288969

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine?
The IUPAC name of (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine (CID 163639655) is (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine.
What is the SMILES notation for (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine?
The canonical SMILES for (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine is CC/C(=C\C(N)=C(\CC)OC)OC.
What is the InChIKey of (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine?
The InChIKey is IDDNPWNMHQDFLO-XBLVEGMJSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8(12-3)7-9(11)10(6-2)13-4/h7H,5-6,11H2,1-4H3/b8-7+,10-9+.
What are the key properties of (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine?
(3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine has a molecular weight of 185.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,6-dimethoxyocta-3,5-dien-4-amine is sourced from PubChem (CID 163639655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).