N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine

C18H36N2O — CID 19771661

IUPACN-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCOCCCCCCCCCCCNC1=NCCCC1
InChIInChI=1S/C18H36N2O/c1-2-21-17-13-9-7-5-3-4-6-8-11-15-19-18-14-10-12-16-20-18/h2-17H2,1H3,(H,19,20)
InChIKeyRTUQDZBVDSIYPM-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.71
Rot. Bonds13

About N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 19771661) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID19771661
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCCOCCCCCCCCCCCNC1=NCCCC1
InChIInChI=1S/C18H36N2O/c1-2-21-17-13-9-7-5-3-4-6-8-11-15-19-18-14-10-12-16-20-18/h2-17H2,1H3,(H,19,20)
InChIKeyRTUQDZBVDSIYPM-UHFFFAOYSA-N
XLogP4.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
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 N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 19771661) is N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine is CCOCCCCCCCCCCCNC1=NCCCC1.
What is the InChIKey of N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is RTUQDZBVDSIYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-2-21-17-13-9-7-5-3-4-6-8-11-15-19-18-14-10-12-16-20-18/h2-17H2,1H3,(H,19,20).
What are the key properties of N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 296.50 g/mol, XLogP of 4.71, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11-ethoxyundecyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 19771661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).