[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine

C13H23NO — CID 134408152

IUPAC[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
SMILESCC(C)=C/C=C(\C)[C@@H]1CCC[C@H](CN)O1
InChIInChI=1S/C13H23NO/c1-10(2)7-8-11(3)13-6-4-5-12(9-14)15-13/h7-8,12-13H,4-6,9,14H2,1-3H3/b11-8+/t12-,13+/m1/s1
InChIKeyDGYULOBZRSYGHZ-GTMNMCRUSA-N
MW209.33 g/mol
LogP2.80
Rot. Bonds3

About [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine

[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine (PubChem CID 134408152) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
PubChem CID134408152
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
SMILESCC(C)=C/C=C(\C)[C@@H]1CCC[C@H](CN)O1
InChIInChI=1S/C13H23NO/c1-10(2)7-8-11(3)13-6-4-5-12(9-14)15-13/h7-8,12-13H,4-6,9,14H2,1-3H3/b11-8+/t12-,13+/m1/s1
InChIKeyDGYULOBZRSYGHZ-GTMNMCRUSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine?
The IUPAC name of [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine (CID 134408152) is [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine.
What is the SMILES notation for [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine?
The canonical SMILES for [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine is CC(C)=C/C=C(\C)[C@@H]1CCC[C@H](CN)O1.
What is the InChIKey of [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine?
The InChIKey is DGYULOBZRSYGHZ-GTMNMCRUSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)7-8-11(3)13-6-4-5-12(9-14)15-13/h7-8,12-13H,4-6,9,14H2,1-3H3/b11-8+/t12-,13+/m1/s1.
What are the key properties of [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine?
[(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-6-[(2E)-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine is sourced from PubChem (CID 134408152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).