7,8-dimethoxyocta-3,5,7-trien-1-amine

C10H17NO2 — CID 123166948

IUPAC7,8-dimethoxyocta-3,5,7-trien-1-amine
SMILESCOC=C(C=CC=CCCN)OC
InChIInChI=1S/C10H17NO2/c1-12-9-10(13-2)7-5-3-4-6-8-11/h3-5,7,9H,6,8,11H2,1-2H3
InChIKeyZMEGNHNZTDOZND-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds6

About 7,8-dimethoxyocta-3,5,7-trien-1-amine

7,8-dimethoxyocta-3,5,7-trien-1-amine (PubChem CID 123166948) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 7,8-dimethoxyocta-3,5,7-trien-1-amine.

Molecular Properties

Compound Name7,8-dimethoxyocta-3,5,7-trien-1-amine
PubChem CID123166948
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name7,8-dimethoxyocta-3,5,7-trien-1-amine
SMILESCOC=C(C=CC=CCCN)OC
InChIInChI=1S/C10H17NO2/c1-12-9-10(13-2)7-5-3-4-6-8-11/h3-5,7,9H,6,8,11H2,1-2H3
InChIKeyZMEGNHNZTDOZND-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
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

(2E,4Z,6Z)-4-(2-ethoxyethoxy)-5-fluoronona-2,4,6-trien-1-amine
CID 155485579
2-(2H-pyran-6-yl)ethanamine
CID 53908494
1-(3,4-dihydro-2H-oxepin-7-ylidene)butan-2-amine
CID 57009658
4-Butoxycyclohexa-2,4-dien-1-amine
CID 89073852
(Z)-2-[(3E)-hexa-1,3-dien-2-yl]oxyethenamine
CID 89131837
(3Z,5E)-8-amino-4,5-dimethoxyocta-1,3,5-trien-3-ol
CID 89167905
(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
6-Methoxynona-4,6-dien-2-amine
CID 90755052
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
[(3E,5Z)-1-aminoocta-3,5-dien-4-yl] formate
CID 117766210
2-Ethenyl-4,5-dimethoxyhexa-2,4-dien-1-amine
CID 123179464
(2Z,4E)-4-methoxyhepta-2,4-dien-1-amine
CID 130239384

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxyocta-3,5,7-trien-1-amine?
The IUPAC name of 7,8-dimethoxyocta-3,5,7-trien-1-amine (CID 123166948) is 7,8-dimethoxyocta-3,5,7-trien-1-amine.
What is the SMILES notation for 7,8-dimethoxyocta-3,5,7-trien-1-amine?
The canonical SMILES for 7,8-dimethoxyocta-3,5,7-trien-1-amine is COC=C(C=CC=CCCN)OC.
What is the InChIKey of 7,8-dimethoxyocta-3,5,7-trien-1-amine?
The InChIKey is ZMEGNHNZTDOZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-12-9-10(13-2)7-5-3-4-6-8-11/h3-5,7,9H,6,8,11H2,1-2H3.
What are the key properties of 7,8-dimethoxyocta-3,5,7-trien-1-amine?
7,8-dimethoxyocta-3,5,7-trien-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxyocta-3,5,7-trien-1-amine is sourced from PubChem (CID 123166948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).