(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine

C10H17NO2 — CID 90137721

IUPAC(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(=C\C(C)=C/COC)OC
InChIInChI=1S/C10H17NO2/c1-8(5-6-12-3)7-10(13-4)9(2)11/h5,7H,2,6,11H2,1,3-4H3/b8-5-,10-7+
InChIKeySFFVYNFITALAOY-OEPUHGBTSA-N
MW183.25 g/mol
LogP1.58
Rot. Bonds5

About (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine

(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine (PubChem CID 90137721) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
PubChem CID90137721
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(=C\C(C)=C/COC)OC
InChIInChI=1S/C10H17NO2/c1-8(5-6-12-3)7-10(13-4)9(2)11/h5,7H,2,6,11H2,1,3-4H3/b8-5-,10-7+
InChIKeySFFVYNFITALAOY-OEPUHGBTSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-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 (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine (CID 90137721) is (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine is C=C(N)/C(=C\C(C)=C/COC)OC.
What is the InChIKey of (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine?
The InChIKey is SFFVYNFITALAOY-OEPUHGBTSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(5-6-12-3)7-10(13-4)9(2)11/h5,7H,2,6,11H2,1,3-4H3/b8-5-,10-7+.
What are the key properties of (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine?
(3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,7-dimethoxy-5-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 90137721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).