ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine

C10H21N — CID 142051654

IUPACethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=C(C)CN(C)CC1
InChIInChI=1S/C8H15N.C2H6/c1-7-4-5-9(3)6-8(7)2;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyOQOZGVAUQWRFFL-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds

About ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine

ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 142051654) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID142051654
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=C(C)CN(C)CC1
InChIInChI=1S/C8H15N.C2H6/c1-7-4-5-9(3)6-8(7)2;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyOQOZGVAUQWRFFL-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine (CID 142051654) is ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine is CC.CC1=C(C)CN(C)CC1.
What is the InChIKey of ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is OQOZGVAUQWRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-7-4-5-9(3)6-8(7)2;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine?
ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 155.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,5-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142051654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).