(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine

C9H17NO — CID 138633495

IUPAC(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine
SMILESC/C=C(\C=C(/C)N(C)C)OC
InChIInChI=1S/C9H17NO/c1-6-9(11-5)7-8(2)10(3)4/h6-7H,1-5H3/b8-7+,9-6+
InChIKeyUNVQCHXRKSILDF-KHHFIZIMSA-N
MW155.24 g/mol
LogP2.00
Rot. Bonds3

About (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine

(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine (PubChem CID 138633495) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine
PubChem CID138633495
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine
SMILESC/C=C(\C=C(/C)N(C)C)OC
InChIInChI=1S/C9H17NO/c1-6-9(11-5)7-8(2)10(3)4/h6-7H,1-5H3/b8-7+,9-6+
InChIKeyUNVQCHXRKSILDF-KHHFIZIMSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.00
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

(3E,5Z)-7-methoxy-N,N-dimethylhepta-1,3,5-trien-4-amine
CID 89360210
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
4-Methoxyhexa-1,3,5-trien-2-yl-methyl-methylideneazanium
CID 123934866
(2E)-N-ethenyl-4-methoxy-N-methylpenta-2,4-dien-2-amine
CID 126583845
4-Methoxy-1-methyl-2-methylidenepyridine
CID 132022901
(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
(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-3-amine
CID 141907622
(3Z)-N-butyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143398990
ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143503839
ethane;(3Z)-N-ethyl-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143503844
ethane;(3Z)-5-methoxy-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 144109374

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine (CID 138633495) is (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine is C/C=C(\C=C(/C)N(C)C)OC.
What is the InChIKey of (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine?
The InChIKey is UNVQCHXRKSILDF-KHHFIZIMSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-9(11-5)7-8(2)10(3)4/h6-7H,1-5H3/b8-7+,9-6+.
What are the key properties of (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine?
(2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine has a molecular weight of 155.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-methoxy-N,N-dimethylhexa-2,4-dien-2-amine is sourced from PubChem (CID 138633495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).