(3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine

C9H15NO — CID 143258853

IUPAC(3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C)OC)CNC
InChIInChI=1S/C9H15NO/c1-8(7-10-3)5-6-9(2)11-4/h5-6,10H,1-2,7H2,3-4H3/b6-5-
InChIKeyRVXIZLQPYZUBCL-WAYWQWQTSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds5

About (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine

(3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 143258853) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine
PubChem CID143258853
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C)OC)CNC
InChIInChI=1S/C9H15NO/c1-8(7-10-3)5-6-9(2)11-4/h5-6,10H,1-2,7H2,3-4H3/b6-5-
InChIKeyRVXIZLQPYZUBCL-WAYWQWQTSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
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)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine (CID 143258853) is (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine is C=C(/C=C\C(=C)OC)CNC.
What is the InChIKey of (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is RVXIZLQPYZUBCL-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(7-10-3)5-6-9(2)11-4/h5-6,10H,1-2,7H2,3-4H3/b6-5-.
What are the key properties of (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine?
(3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-methoxy-N-methyl-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 143258853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).