4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine

C12H21NO — CID 123877489

IUPAC4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C=C(C=C(C)N(C)C)CC)OC
InChIInChI=1S/C12H21NO/c1-7-12(9-11(3)14-6)8-10(2)13(4)5/h8-9H,3,7H2,1-2,4-6H3
InChIKeyVZEGNTUFKUAHFH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds5

About 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine

4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine (PubChem CID 123877489) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
PubChem CID123877489
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C=C(C=C(C)N(C)C)CC)OC
InChIInChI=1S/C12H21NO/c1-7-12(9-11(3)14-6)8-10(2)13(4)5/h8-9H,3,7H2,1-2,4-6H3
InChIKeyVZEGNTUFKUAHFH-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
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

(2E,4E)-4-(1-fluoroethoxy)-N,N,6-trimethylocta-2,4-dien-2-amine
CID 156450726
(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine
CID 166906897
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
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519
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;(3E)-N-ethyl-N,5-dimethyl-4-propoxyhexa-1,3,5-trien-2-amine
CID 145316989
ethane;(5Z,6E)-5-ethylidene-3-methoxy-N,N-dimethyl-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 145582734
(1E)-2-methoxy-N,N-dimethyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-en-1-amine
CID 167209695
7-ethenyl-3-methoxy-N,N-dimethylcyclohepta-1,3,6-trien-1-amine
CID 143185241
4-ethyl-3-[(1Z)-3-methoxybuta-1,3-dienyl]-1-methyl-5-methylidene-2H-pyrrole
CID 143990975

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine (CID 123877489) is 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine is C=C(C=C(C=C(C)N(C)C)CC)OC.
What is the InChIKey of 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine?
The InChIKey is VZEGNTUFKUAHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7-12(9-11(3)14-6)8-10(2)13(4)5/h8-9H,3,7H2,1-2,4-6H3.
What are the key properties of 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine?
4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 123877489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).