(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine

C11H19NO — CID 138633519

IUPAC(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C/CC)OC)N(C)C
InChIInChI=1S/C11H19NO/c1-6-7-11(13-5)9-8-10(2)12(3)4/h7-9H,2,6H2,1,3-5H3/b9-8-,11-7+
InChIKeyJZOINSVVFBFXOZ-NVKZJLNYSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds5

About (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine

(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine (PubChem CID 138633519) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
PubChem CID138633519
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C/CC)OC)N(C)C
InChIInChI=1S/C11H19NO/c1-6-7-11(13-5)9-8-10(2)12(3)4/h7-9H,2,6H2,1,3-5H3/b9-8-,11-7+
InChIKeyJZOINSVVFBFXOZ-NVKZJLNYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine
CID 166906897
2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 134935258
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 123877489
(3Z)-N,N-diethyl-2-methoxyhexa-3,5-dien-2-amine
CID 135234078
(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine
CID 138465845
4,6-dimethoxy-N,N-dimethylcyclohepta-1,4,6-trien-1-amine
CID 138510953
(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine
CID 138633495
3-methoxy-N,N,4-trimethylcyclohepta-1,3,5-trien-1-amine
CID 141975984
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 142144047
ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143503839

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine (CID 138633519) is (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine is C=C(/C=C\C(=C/CC)OC)N(C)C.
What is the InChIKey of (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine?
The InChIKey is JZOINSVVFBFXOZ-NVKZJLNYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-7-11(13-5)9-8-10(2)12(3)4/h7-9H,2,6H2,1,3-5H3/b9-8-,11-7+.
What are the key properties of (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine?
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine is sourced from PubChem (CID 138633519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).