(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine

C11H21NO — CID 126735355

IUPAC(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
SMILESCCC/C=C(\C=C(/N)C(C)C)OC
InChIInChI=1S/C11H21NO/c1-5-6-7-10(13-4)8-11(12)9(2)3/h7-9H,5-6,12H2,1-4H3/b10-7+,11-8-
InChIKeyYWQYFEKKAJXTAF-WAKDDQPJSA-N
MW183.29 g/mol
LogP2.82
Rot. Bonds5

About (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine

(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine (PubChem CID 126735355) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
PubChem CID126735355
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine
SMILESCCC/C=C(\C=C(/N)C(C)C)OC
InChIInChI=1S/C11H21NO/c1-5-6-7-10(13-4)8-11(12)9(2)3/h7-9H,5-6,12H2,1-4H3/b10-7+,11-8-
InChIKeyYWQYFEKKAJXTAF-WAKDDQPJSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.82
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'}

Analyze (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine?
The IUPAC name of (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine (CID 126735355) is (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine?
The canonical SMILES for (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine is CCC/C=C(\C=C(/N)C(C)C)OC.
What is the InChIKey of (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine?
The InChIKey is YWQYFEKKAJXTAF-WAKDDQPJSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-6-7-10(13-4)8-11(12)9(2)3/h7-9H,5-6,12H2,1-4H3/b10-7+,11-8-.
What are the key properties of (3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine?
(3Z,5E)-5-methoxy-2-methylnona-3,5-dien-3-amine has a molecular weight of 183.29 g/mol, XLogP of 2.82, 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-2-methylnona-3,5-dien-3-amine is sourced from PubChem (CID 126735355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).