(2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine

C26H52N2O2 — CID 163514837

IUPAC(2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine
SMILESCCCC/C=C(\CCCCOCCC[C@@H](C)C(N)C1CCCCC1)OCCNCC
InChIInChI=1S/C26H52N2O2/c1-4-6-8-17-25(30-22-19-28-5-2)18-11-12-20-29-21-13-14-23(3)26(27)24-15-9-7-10-16-24/h17,23-24,26,28H,4-16,18-22,27H2,1-3H3/b25-17+/t23-,26?/m1/s1
InChIKeyDFUPIGIQHJGATB-HFESCUGVSA-N
MW424.71 g/mol
LogP6.20
Rot. Bonds19

About (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine

(2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine (PubChem CID 163514837) has the molecular formula C26H52N2O2 and a molecular weight of 424.71 g/mol. Its IUPAC name is (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine.

Molecular Properties

Compound Name(2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine
PubChem CID163514837
Molecular FormulaC26H52N2O2
Molecular Weight424.71 g/mol
Exact Mass424.40
IUPAC Name(2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine
SMILESCCCC/C=C(\CCCCOCCC[C@@H](C)C(N)C1CCCCC1)OCCNCC
InChIInChI=1S/C26H52N2O2/c1-4-6-8-17-25(30-22-19-28-5-2)18-11-12-20-29-21-13-14-23(3)26(27)24-15-9-7-10-16-24/h17,23-24,26,28H,4-16,18-22,27H2,1-3H3/b25-17+/t23-,26?/m1/s1
InChIKeyDFUPIGIQHJGATB-HFESCUGVSA-N
XLogP6.20
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine?
The IUPAC name of (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine (CID 163514837) is (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine.
What is the SMILES notation for (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine?
The canonical SMILES for (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine is CCCC/C=C(\CCCCOCCC[C@@H](C)C(N)C1CCCCC1)OCCNCC.
What is the InChIKey of (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine?
The InChIKey is DFUPIGIQHJGATB-HFESCUGVSA-N. The full InChI is InChI=1S/C26H52N2O2/c1-4-6-8-17-25(30-22-19-28-5-2)18-11-12-20-29-21-13-14-23(3)26(27)24-15-9-7-10-16-24/h17,23-24,26,28H,4-16,18-22,27H2,1-3H3/b25-17+/t23-,26?/m1/s1.
What are the key properties of (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine?
(2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine has a molecular weight of 424.71 g/mol, XLogP of 6.20, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyl-5-[(E)-5-[2-(ethylamino)ethoxy]dec-5-enoxy]-2-methylpentan-1-amine is sourced from PubChem (CID 163514837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).