(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine

C10H17NO — CID 89208979

IUPAC(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(\C=C/N)CC)COC
InChIInChI=1S/C10H17NO/c1-4-10(5-6-11)7-9(2)8-12-3/h5-7H,2,4,8,11H2,1,3H3/b6-5-,10-7-
InChIKeyOMWVSZBPLNTNAC-ICZHLNMZSA-N
MW167.25 g/mol
LogP2.00
Rot. Bonds5

About (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine

(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine (PubChem CID 89208979) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
PubChem CID89208979
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine
SMILESC=C(/C=C(\C=C/N)CC)COC
InChIInChI=1S/C10H17NO/c1-4-10(5-6-11)7-9(2)8-12-3/h5-7H,2,4,8,11H2,1,3H3/b6-5-,10-7-
InChIKeyOMWVSZBPLNTNAC-ICZHLNMZSA-N
XLogP2.00
TPSA35.25 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-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 (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine (CID 89208979) is (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine is C=C(/C=C(\C=C/N)CC)COC.
What is the InChIKey of (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
The InChIKey is OMWVSZBPLNTNAC-ICZHLNMZSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-10(5-6-11)7-9(2)8-12-3/h5-7H,2,4,8,11H2,1,3H3/b6-5-,10-7-.
What are the key properties of (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-ethyl-5-(methoxymethyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89208979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).