2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine

C25H50N2 — CID 5478029

IUPAC2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine
SMILESCCC1CCCC(C)N1.CCCCCCCC/C=C/CC1CCCC(C)N1
InChIInChI=1S/C17H33N.C8H17N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17;1-3-8-6-4-5-7(2)9-8/h10-11,16-18H,3-9,12-15H2,1-2H3;7-9H,3-6H2,1-2H3/b11-10+;
InChIKeyJZCAMRDTJYUXNN-ASTDGNLGSA-N
MW378.69 g/mol
LogP7.14
Rot. Bonds10

About 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine

2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine (PubChem CID 5478029) has the molecular formula C25H50N2 and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine.

Molecular Properties

Compound Name2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine
PubChem CID5478029
Molecular FormulaC25H50N2
Molecular Weight378.69 g/mol
Exact Mass378.40
IUPAC Name2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine
SMILESCCC1CCCC(C)N1.CCCCCCCC/C=C/CC1CCCC(C)N1
InChIInChI=1S/C17H33N.C8H17N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17;1-3-8-6-4-5-7(2)9-8/h10-11,16-18H,3-9,12-15H2,1-2H3;7-9H,3-6H2,1-2H3/b11-10+;
InChIKeyJZCAMRDTJYUXNN-ASTDGNLGSA-N
XLogP7.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine?
The IUPAC name of 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine (CID 5478029) is 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine.
What is the SMILES notation for 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine?
The canonical SMILES for 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine is CCC1CCCC(C)N1.CCCCCCCC/C=C/CC1CCCC(C)N1.
What is the InChIKey of 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine?
The InChIKey is JZCAMRDTJYUXNN-ASTDGNLGSA-N. The full InChI is InChI=1S/C17H33N.C8H17N/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(2)18-17;1-3-8-6-4-5-7(2)9-8/h10-11,16-18H,3-9,12-15H2,1-2H3;7-9H,3-6H2,1-2H3/b11-10+;.
What are the key properties of 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine?
2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine has a molecular weight of 378.69 g/mol, XLogP of 7.14, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylpiperidine;2-methyl-6-[(E)-undec-2-enyl]piperidine is sourced from PubChem (CID 5478029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).