(3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine

C8H13NO — CID 143782118

IUPAC(3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(\C=C)OC
InChIInChI=1S/C8H13NO/c1-5-7(9-3)8(6-2)10-4/h5-6,9H,1-2H2,3-4H3/b8-7-
InChIKeyOYEWVSYRQCJPJW-FPLPWBNLSA-N
MW139.20 g/mol
LogP1.44
Rot. Bonds4

About (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine

(3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine (PubChem CID 143782118) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine
PubChem CID143782118
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(\C=C)OC
InChIInChI=1S/C8H13NO/c1-5-7(9-3)8(6-2)10-4/h5-6,9H,1-2H2,3-4H3/b8-7-
InChIKeyOYEWVSYRQCJPJW-FPLPWBNLSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
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-methoxy-N-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine (CID 143782118) is (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine is C=C/C(NC)=C(\C=C)OC.
What is the InChIKey of (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine?
The InChIKey is OYEWVSYRQCJPJW-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13NO/c1-5-7(9-3)8(6-2)10-4/h5-6,9H,1-2H2,3-4H3/b8-7-.
What are the key properties of (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine?
(3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methoxy-N-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143782118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).