(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine

C11H17NO — CID 145123185

IUPAC(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine
SMILESC=COC/C(C=C)=C(/C=C)N(C)C
InChIInChI=1S/C11H17NO/c1-6-10(9-13-8-3)11(7-2)12(4)5/h6-8H,1-3,9H2,4-5H3/b11-10-
InChIKeyWQNFHXNHQHAFJE-KHPPLWFESA-N
MW179.26 g/mol
LogP2.33
Rot. Bonds6

About (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine

(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 145123185) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine
PubChem CID145123185
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine
SMILESC=COC/C(C=C)=C(/C=C)N(C)C
InChIInChI=1S/C11H17NO/c1-6-10(9-13-8-3)11(7-2)12(4)5/h6-8H,1-3,9H2,4-5H3/b11-10-
InChIKeyWQNFHXNHQHAFJE-KHPPLWFESA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.33
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine (CID 145123185) is (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine is C=COC/C(C=C)=C(/C=C)N(C)C.
What is the InChIKey of (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is WQNFHXNHQHAFJE-KHPPLWFESA-N. The full InChI is InChI=1S/C11H17NO/c1-6-10(9-13-8-3)11(7-2)12(4)5/h6-8H,1-3,9H2,4-5H3/b11-10-.
What are the key properties of (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine?
(3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 179.26 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(ethenoxymethyl)-N,N-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 145123185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).