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

C14H26N2O — CID 89215058

IUPAC(2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine
SMILESCC/C=C(C(\C)=C/CN)/N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O/c1-5-6-14(11(2)7-8-15)16-9-12(3)17-13(4)10-16/h6-7,12-13H,5,8-10,15H2,1-4H3/b11-7-,14-6+/t12-,13+
InChIKeyVSEANWOLNVQRAX-WTJLXHFCSA-N
MW238.37 g/mol
LogP2.29
Rot. Bonds4

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

(2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine (PubChem CID 89215058) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine
PubChem CID89215058
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine
SMILESCC/C=C(C(\C)=C/CN)/N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N2O/c1-5-6-14(11(2)7-8-15)16-9-12(3)17-13(4)10-16/h6-7,12-13H,5,8-10,15H2,1-4H3/b11-7-,14-6+/t12-,13+
InChIKeyVSEANWOLNVQRAX-WTJLXHFCSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine (CID 89215058) is (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine is CC/C=C(C(\C)=C/CN)/N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine?
The InChIKey is VSEANWOLNVQRAX-WTJLXHFCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-6-14(11(2)7-8-15)16-9-12(3)17-13(4)10-16/h6-7,12-13H,5,8-10,15H2,1-4H3/b11-7-,14-6+/t12-,13+.
What are the key properties of (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine?
(2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylhepta-2,4-dien-1-amine is sourced from PubChem (CID 89215058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).