ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine

C20H44N2 — CID 158821853

IUPACethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine
SMILESCC.CC.CCN1CC=C(C)CC1.CCN1CCC(C)CC1
InChIInChI=1S/C8H17N.C8H15N.2C2H6/c2*1-3-9-6-4-8(2)5-7-9;2*1-2/h8H,3-7H2,1-2H3;4H,3,5-7H2,1-2H3;2*1-2H3
InChIKeyIVYVQVJKIMNFGI-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.45
Rot. Bonds2

About ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine

ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine (PubChem CID 158821853) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine.

Molecular Properties

Compound Nameethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine
PubChem CID158821853
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC Nameethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine
SMILESCC.CC.CCN1CC=C(C)CC1.CCN1CCC(C)CC1
InChIInChI=1S/C8H17N.C8H15N.2C2H6/c2*1-3-9-6-4-8(2)5-7-9;2*1-2/h8H,3-7H2,1-2H3;4H,3,5-7H2,1-2H3;2*1-2H3
InChIKeyIVYVQVJKIMNFGI-UHFFFAOYSA-N
XLogP5.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.45
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

ethane;1-ethyl-4-methylpiperidine
CID 143737046
N,N-dimethylethanamine;1-ethyl-4-methylpiperidine
CID 157328296
4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
CID 175622919
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
N-(cyclopropylmethyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 104694198
N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410731
1,4-dimethyl-3,6-dihydro-2H-pyridine;propane
CID 178031639
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 176561897
N-[2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114413272
4-methyl-1-(3-piperidin-4-ylpropyl)-3,6-dihydro-2H-pyridine
CID 114410854

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine?
The IUPAC name of ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine (CID 158821853) is ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine.
What is the SMILES notation for ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine?
The canonical SMILES for ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine is CC.CC.CCN1CC=C(C)CC1.CCN1CCC(C)CC1.
What is the InChIKey of ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine?
The InChIKey is IVYVQVJKIMNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H15N.2C2H6/c2*1-3-9-6-4-8(2)5-7-9;2*1-2/h8H,3-7H2,1-2H3;4H,3,5-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine?
ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine has a molecular weight of 312.59 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methyl-3,6-dihydro-2H-pyridine;1-ethyl-4-methylpiperidine is sourced from PubChem (CID 158821853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).