(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine

C9H17NO — CID 134406077

IUPAC(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C(C)=C\C=C(/C)OC
InChIInChI=1S/C9H17NO/c1-8(7-10-3)5-6-9(2)11-4/h5-6,10H,7H2,1-4H3/b8-5-,9-6+
InChIKeyXXLDGUMWHGVQQL-LDFAFZTOSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds4

About (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine

(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine (PubChem CID 134406077) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine
PubChem CID134406077
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine
SMILESCNC/C(C)=C\C=C(/C)OC
InChIInChI=1S/C9H17NO/c1-8(7-10-3)5-6-9(2)11-4/h5-6,10H,7H2,1-4H3/b8-5-,9-6+
InChIKeyXXLDGUMWHGVQQL-LDFAFZTOSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
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 (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine (CID 134406077) is (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine is CNC/C(C)=C\C=C(/C)OC.
What is the InChIKey of (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine?
The InChIKey is XXLDGUMWHGVQQL-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-10-3)5-6-9(2)11-4/h5-6,10H,7H2,1-4H3/b8-5-,9-6+.
What are the key properties of (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine?
(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 134406077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).