ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine

C16H34N2 — CID 143070826

IUPACethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine
SMILESCC.CCC1CCCCN1C.CN1CC=CCC1
InChIInChI=1S/C8H17N.C6H11N.C2H6/c1-3-8-6-4-5-7-9(8)2;1-7-5-3-2-4-6-7;1-2/h8H,3-7H2,1-2H3;2-3H,4-6H2,1H3;1-2H3
InChIKeyLRABYLKKJVQOIL-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.79
Rot. Bonds1

About ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine

ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 143070826) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine
PubChem CID143070826
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Nameethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine
SMILESCC.CCC1CCCCN1C.CN1CC=CCC1
InChIInChI=1S/C8H17N.C6H11N.C2H6/c1-3-8-6-4-5-7-9(8)2;1-7-5-3-2-4-6-7;1-2/h8H,3-7H2,1-2H3;2-3H,4-6H2,1H3;1-2H3
InChIKeyLRABYLKKJVQOIL-UHFFFAOYSA-N
XLogP3.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohex-2-en-1-yl)piperidine
CID 258780
9-Methyl-9-azabicyclo[3.3.1]non-2-ene
CID 134896609
1-[8-(3,6-dihydro-2H-pyridin-1-yl)-5-(4-fluoro-3,6-dihydro-2H-pyridin-1-yl)nonan-2-yl]-4-fluoro-2,3,6,7-tetrahydroazepine
CID 174154408
1,3,4,6,9,9a-Hexahydro-2H-quinolizine
CID 557967
9,9-Dimethyl-9-azoniabicyclo[3.3.1]non-2-ene iodide
CID 90481943
2-[(Z)-prop-1-enyl]-1-propylpiperidine
CID 134901773
2-[(Z)-but-1-enyl]-1-propylpiperidine
CID 134901816
N,N-dihexylcyclohex-2-en-1-amine
CID 258789
1-N,1-N,4-N,4-N-tetra(propan-2-yl)cyclohex-2-ene-1,4-diamine
CID 258790
1-methyl-2-[(Z)-prop-1-enyl]piperidine
CID 12312487
1-[(2E)-1-methyl-2-butenyl]piperidine
CID 13003604
1-[(Z)-octadec-9-enyl]piperidine
CID 13947586

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine (CID 143070826) is ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine is CC.CCC1CCCCN1C.CN1CC=CCC1.
What is the InChIKey of ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LRABYLKKJVQOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C6H11N.C2H6/c1-3-8-6-4-5-7-9(8)2;1-7-5-3-2-4-6-7;1-2/h8H,3-7H2,1-2H3;2-3H,4-6H2,1H3;1-2H3.
What are the key properties of ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine?
ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 254.46 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-1-methylpiperidine;1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 143070826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).