(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine

C10H17NO2 — CID 155480572

IUPAC(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine
SMILESC=C/C(N)=C\C/C(OC)=C(\C)OC
InChIInChI=1S/C10H17NO2/c1-5-9(11)6-7-10(13-4)8(2)12-3/h5-6H,1,7,11H2,2-4H3/b9-6+,10-8-
InChIKeyHNGGXFUSULKJFX-BXXMFMFASA-N
MW183.25 g/mol
LogP1.93
Rot. Bonds5

About (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine

(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine (PubChem CID 155480572) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine.

Molecular Properties

Compound Name(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine
PubChem CID155480572
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine
SMILESC=C/C(N)=C\C/C(OC)=C(\C)OC
InChIInChI=1S/C10H17NO2/c1-5-9(11)6-7-10(13-4)8(2)12-3/h5-6H,1,7,11H2,2-4H3/b9-6+,10-8-
InChIKeyHNGGXFUSULKJFX-BXXMFMFASA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.93
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
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3E)-6-methoxyhepta-1,3,6-trien-4-amine
CID 134484577
(2E,4Z)-7-methoxyocta-2,4-dien-2-amine
CID 138500854
5-Ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
CID 138711950
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
Ethane;molecular hydrogen;4-propoxycyclohepta-1,3,6-trien-1-amine
CID 141975281
ethane;(3E,5E)-6-methoxyhepta-1,3,5-trien-4-amine
CID 142106451
3,6-Dimethoxycyclohepta-1,3,6-trien-1-amine
CID 142133641
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180
(2E,4E)-5-methoxyhepta-2,4-dien-2-amine
CID 142597245
ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
CID 143329605

Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine?
The IUPAC name of (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine (CID 155480572) is (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine.
What is the SMILES notation for (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine?
The canonical SMILES for (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine is C=C/C(N)=C\C/C(OC)=C(\C)OC.
What is the InChIKey of (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine?
The InChIKey is HNGGXFUSULKJFX-BXXMFMFASA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-9(11)6-7-10(13-4)8(2)12-3/h5-6H,1,7,11H2,2-4H3/b9-6+,10-8-.
What are the key properties of (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine?
(3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine has a molecular weight of 183.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-6,7-dimethoxyocta-1,3,6-trien-3-amine is sourced from PubChem (CID 155480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).