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

C10H17NO — CID 88576747

IUPAC(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)OC)CNC
InChIInChI=1S/C10H17NO/c1-5-10(12-4)7-6-9(2)8-11-3/h5-7,11H,2,8H2,1,3-4H3/b7-6-,10-5+
InChIKeyALHLZPFGWNLCNZ-JQEGGOPCSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds5

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

(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine (PubChem CID 88576747) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
PubChem CID88576747
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C/C)OC)CNC
InChIInChI=1S/C10H17NO/c1-5-10(12-4)7-6-9(2)8-11-3/h5-7,11H,2,8H2,1,3-4H3/b7-6-,10-5+
InChIKeyALHLZPFGWNLCNZ-JQEGGOPCSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
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,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine (CID 88576747) is (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine is C=C(/C=C\C(=C/C)OC)CNC.
What is the InChIKey of (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The InChIKey is ALHLZPFGWNLCNZ-JQEGGOPCSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-10(12-4)7-6-9(2)8-11-3/h5-7,11H,2,8H2,1,3-4H3/b7-6-,10-5+.
What are the key properties of (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine is sourced from PubChem (CID 88576747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).