6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine

C11H19NO — CID 123158046

IUPAC6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C=C(C)C=C(C)N(C)C)OC
InChIInChI=1S/C11H19NO/c1-9(8-11(3)13-6)7-10(2)12(4)5/h7-8H,3H2,1-2,4-6H3
InChIKeyUZLOALUIUBHHTA-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.56
Rot. Bonds4

About 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine

6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine (PubChem CID 123158046) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
PubChem CID123158046
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
SMILESC=C(C=C(C)C=C(C)N(C)C)OC
InChIInChI=1S/C11H19NO/c1-9(8-11(3)13-6)7-10(2)12(4)5/h7-8H,3H2,1-2,4-6H3
InChIKeyUZLOALUIUBHHTA-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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
6-(2-ethenylbut-2-enoxy)-N,N-dimethylhepta-2,4,6-trien-3-amine
CID 91547178
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
4-ethyl-6-methoxy-N,N-dimethylhepta-2,4,6-trien-2-amine
CID 123877489
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
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519
(2E)-4-methoxy-N-methyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
CID 139523115
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine?
The IUPAC name of 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine (CID 123158046) is 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine?
The canonical SMILES for 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine is C=C(C=C(C)C=C(C)N(C)C)OC.
What is the InChIKey of 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine?
The InChIKey is UZLOALUIUBHHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(8-11(3)13-6)7-10(2)12(4)5/h7-8H,3H2,1-2,4-6H3.
What are the key properties of 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine?
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 123158046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).