(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine

C14H24N2O — CID 89073706

IUPAC(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(C)=C/CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H24N2O/c1-5-6-14(15)11(2)7-8-16-9-12(3)17-13(4)10-16/h5-7,12-13H,1,8-10,15H2,2-4H3/b11-7-,14-6+/t12-,13+
InChIKeyNJDXWMXFPGAOPH-WTJLXHFCSA-N
MW236.36 g/mol
LogP2.07
Rot. Bonds4

About (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine

(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine (PubChem CID 89073706) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine
PubChem CID89073706
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine
SMILESC=C/C=C(N)\C(C)=C/CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H24N2O/c1-5-6-14(15)11(2)7-8-16-9-12(3)17-13(4)10-16/h5-7,12-13H,1,8-10,15H2,2-4H3/b11-7-,14-6+/t12-,13+
InChIKeyNJDXWMXFPGAOPH-WTJLXHFCSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-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)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine (CID 89073706) is (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine is C=C/C=C(N)\C(C)=C/CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine?
The InChIKey is NJDXWMXFPGAOPH-WTJLXHFCSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-14(15)11(2)7-8-16-9-12(3)17-13(4)10-16/h5-7,12-13H,1,8-10,15H2,2-4H3/b11-7-,14-6+/t12-,13+.
What are the key properties of (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine?
(3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 89073706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).