6-decan-4-yl-4-ethoxypiperidin-3-amine

C17H36N2O — CID 129133406

IUPAC6-decan-4-yl-4-ethoxypiperidin-3-amine
SMILESCCCCCCC(CCC)C1CC(OCC)C(N)CN1
InChIInChI=1S/C17H36N2O/c1-4-7-8-9-11-14(10-5-2)16-12-17(20-6-3)15(18)13-19-16/h14-17,19H,4-13,18H2,1-3H3
InChIKeyCMODPCINYYTCKQ-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.47
Rot. Bonds10

About 6-decan-4-yl-4-ethoxypiperidin-3-amine

6-decan-4-yl-4-ethoxypiperidin-3-amine (PubChem CID 129133406) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 6-decan-4-yl-4-ethoxypiperidin-3-amine.

Molecular Properties

Compound Name6-decan-4-yl-4-ethoxypiperidin-3-amine
PubChem CID129133406
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name6-decan-4-yl-4-ethoxypiperidin-3-amine
SMILESCCCCCCC(CCC)C1CC(OCC)C(N)CN1
InChIInChI=1S/C17H36N2O/c1-4-7-8-9-11-14(10-5-2)16-12-17(20-6-3)15(18)13-19-16/h14-17,19H,4-13,18H2,1-3H3
InChIKeyCMODPCINYYTCKQ-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-decan-4-yl-4-ethoxypiperidin-3-amine?
The IUPAC name of 6-decan-4-yl-4-ethoxypiperidin-3-amine (CID 129133406) is 6-decan-4-yl-4-ethoxypiperidin-3-amine.
What is the SMILES notation for 6-decan-4-yl-4-ethoxypiperidin-3-amine?
The canonical SMILES for 6-decan-4-yl-4-ethoxypiperidin-3-amine is CCCCCCC(CCC)C1CC(OCC)C(N)CN1.
What is the InChIKey of 6-decan-4-yl-4-ethoxypiperidin-3-amine?
The InChIKey is CMODPCINYYTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-7-8-9-11-14(10-5-2)16-12-17(20-6-3)15(18)13-19-16/h14-17,19H,4-13,18H2,1-3H3.
What are the key properties of 6-decan-4-yl-4-ethoxypiperidin-3-amine?
6-decan-4-yl-4-ethoxypiperidin-3-amine has a molecular weight of 284.49 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decan-4-yl-4-ethoxypiperidin-3-amine is sourced from PubChem (CID 129133406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).