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

C12H27N — CID 144868102

IUPACethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCC.CC.CCC1=CCN(C)CC1
InChIInChI=1S/C8H15N.2C2H6/c1-3-8-4-6-9(2)7-5-8;2*1-2/h4H,3,5-7H2,1-2H3;2*1-2H3
InChIKeyLRFBSRPSWKKAKL-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.71
Rot. Bonds1

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

ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 144868102) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID144868102
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Nameethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCC.CC.CCC1=CCN(C)CC1
InChIInChI=1S/C8H15N.2C2H6/c1-3-8-4-6-9(2)7-5-8;2*1-2/h4H,3,5-7H2,1-2H3;2*1-2H3
InChIKeyLRFBSRPSWKKAKL-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.71
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;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine (CID 144868102) is ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine is CC.CC.CCC1=CCN(C)CC1.
What is the InChIKey of ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LRFBSRPSWKKAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.2C2H6/c1-3-8-4-6-9(2)7-5-8;2*1-2/h4H,3,5-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine?
ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 185.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 144868102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).