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

C14H27NO2 — CID 144607397

IUPACethane;(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.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-10(2)9-12(15-6)11(3)13(4)7-8-14-5;1-2/h9H,1,3,7-8H2,2,4-6H3;1-2H3/b12-9+;
InChIKeyIJEWRDDDENWOMU-NBYYMMLRSA-N
MW241.37 g/mol
LogP3.21
Rot. Bonds7

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

ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 144607397) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Nameethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
PubChem CID144607397
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nameethane;(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.CC
InChIInChI=1S/C12H21NO2.C2H6/c1-10(2)9-12(15-6)11(3)13(4)7-8-14-5;1-2/h9H,1,3,7-8H2,2,4-6H3;1-2H3/b12-9+;
InChIKeyIJEWRDDDENWOMU-NBYYMMLRSA-N
XLogP3.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.21
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 ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine (CID 144607397) is ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for ethane;(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.CC.
What is the InChIKey of ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is IJEWRDDDENWOMU-NBYYMMLRSA-N. The full InChI is InChI=1S/C12H21NO2.C2H6/c1-10(2)9-12(15-6)11(3)13(4)7-8-14-5;1-2/h9H,1,3,7-8H2,2,4-6H3;1-2H3/b12-9+;.
What are the key properties of ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine?
ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 241.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 144607397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).