(E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine

C14H28N2O — CID 70974473

IUPAC(E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine
SMILESC/C(CCN)=C(/C(C)C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H28N2O/c1-10(2)14(11(3)6-7-15)16-8-12(4)17-13(5)9-16/h10,12-13H,6-9,15H2,1-5H3/b14-11+/t12-,13+
InChIKeyAZHJTHMKILBMEH-WXVJQZMLSA-N
MW240.39 g/mol
LogP2.37
Rot. Bonds4

About (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine

(E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine (PubChem CID 70974473) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine
PubChem CID70974473
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine
SMILESC/C(CCN)=C(/C(C)C)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H28N2O/c1-10(2)14(11(3)6-7-15)16-8-12(4)17-13(5)9-16/h10,12-13H,6-9,15H2,1-5H3/b14-11+/t12-,13+
InChIKeyAZHJTHMKILBMEH-WXVJQZMLSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine?
The IUPAC name of (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine (CID 70974473) is (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine.
What is the SMILES notation for (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine?
The canonical SMILES for (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine is C/C(CCN)=C(/C(C)C)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine?
The InChIKey is AZHJTHMKILBMEH-WXVJQZMLSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)14(11(3)6-7-15)16-8-12(4)17-13(5)9-16/h10,12-13H,6-9,15H2,1-5H3/b14-11+/t12-,13+.
What are the key properties of (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine?
(E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylhex-3-en-1-amine is sourced from PubChem (CID 70974473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).