(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

C12H21NO2 — CID 144607398

IUPAC(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C(/OC)C(=C)N(C)CCOC
InChIInChI=1S/C12H21NO2/c1-10(2)9-12(15-6)11(3)13(4)7-8-14-5/h9H,1,3,7-8H2,2,4-6H3/b12-9+
InChIKeyWRTJMNUPFGCTKV-FMIVXFBMSA-N
MW211.30 g/mol
LogP2.18
Rot. Bonds7

About (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine

(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 144607398) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID144607398
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(C)/C=C(/OC)C(=C)N(C)CCOC
InChIInChI=1S/C12H21NO2/c1-10(2)9-12(15-6)11(3)13(4)7-8-14-5/h9H,1,3,7-8H2,2,4-6H3/b12-9+
InChIKeyWRTJMNUPFGCTKV-FMIVXFBMSA-N
XLogP2.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 144607398) is (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is C=C(C)/C=C(/OC)C(=C)N(C)CCOC.
What is the InChIKey of (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is WRTJMNUPFGCTKV-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)9-12(15-6)11(3)13(4)7-8-14-5/h9H,1,3,7-8H2,2,4-6H3/b12-9+.
What are the key properties of (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 211.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144607398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).