N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine

C16H34N2 — CID 79045571

IUPACN-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
SMILESCCCCCC(NCC)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H34N2/c1-5-7-9-12-15(17-6-2)16(3,4)18-13-10-8-11-14-18/h15,17H,5-14H2,1-4H3
InChIKeyOLMUBZYRJFIKAB-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds8

About N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine

N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine (PubChem CID 79045571) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
PubChem CID79045571
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
SMILESCCCCCC(NCC)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H34N2/c1-5-7-9-12-15(17-6-2)16(3,4)18-13-10-8-11-14-18/h15,17H,5-14H2,1-4H3
InChIKeyOLMUBZYRJFIKAB-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine?
The IUPAC name of N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine (CID 79045571) is N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine?
The canonical SMILES for N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine is CCCCCC(NCC)C(C)(C)N1CCCCC1.
What is the InChIKey of N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine?
The InChIKey is OLMUBZYRJFIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-9-12-15(17-6-2)16(3,4)18-13-10-8-11-14-18/h15,17H,5-14H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine?
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine is sourced from PubChem (CID 79045571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).