5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine

C10H19NO2 — CID 123422902

IUPAC5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine
SMILESC=C(C=C(COC)OC)CCNC
InChIInChI=1S/C10H19NO2/c1-9(5-6-11-2)7-10(13-4)8-12-3/h7,11H,1,5-6,8H2,2-4H3
InChIKeyOKBYBJZANDQOJY-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds7

About 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine

5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine (PubChem CID 123422902) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine.

Molecular Properties

Compound Name5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine
PubChem CID123422902
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine
SMILESC=C(C=C(COC)OC)CCNC
InChIInChI=1S/C10H19NO2/c1-9(5-6-11-2)7-10(13-4)8-12-3/h7,11H,1,5-6,8H2,2-4H3
InChIKeyOKBYBJZANDQOJY-UHFFFAOYSA-N
XLogP1.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
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

2-(4,5-Dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70310736
N'-[(3Z,4E)-3-ethylidene-5,6-dimethoxyhepta-4,6-dienyl]pentane-1,5-diamine
CID 89209333
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
6-methoxy-N-methylocta-4,6-dien-1-amine
CID 123371000
N-[2-(4,5-dimethoxy-3-methylcyclohexa-1,5-dien-1-yl)ethyl]-2-methylpropan-2-amine
CID 134402328
(3E,5E)-4,5-dimethoxy-N-methylocta-3,5-dien-1-amine
CID 138546710
(3Z,5Z)-N,3-dimethyl-2-methylidene-4-propan-2-yloxyhepta-3,5-dien-1-amine
CID 138727843
but-1-ene;ethane;1-(4-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 141949628
2-(4-ethoxycyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanamine
CID 142206565
2-(5-methoxycyclohepta-1,4,6-trien-1-yl)-N-methylethanamine
CID 142207085
ethane;2-(4-methoxycyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanamine
CID 142207298

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The IUPAC name of 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine (CID 123422902) is 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine.
What is the SMILES notation for 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The canonical SMILES for 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine is C=C(C=C(COC)OC)CCNC.
What is the InChIKey of 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine?
The InChIKey is OKBYBJZANDQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(5-6-11-2)7-10(13-4)8-12-3/h7,11H,1,5-6,8H2,2-4H3.
What are the key properties of 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine?
5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-methyl-3-methylidenehex-4-en-1-amine is sourced from PubChem (CID 123422902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).