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

C11H22N2O — CID 145061513

IUPACethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC.CC1=CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C9H16N2O.C2H6/c1-8-4-6-11(7-5-8)9(12)10(2)3;1-2/h4H,5-7H2,1-3H3;1-2H3
InChIKeyVRHMRBBPAGTICF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.35
Rot. Bonds

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

ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 145061513) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Nameethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID145061513
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC.CC1=CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C9H16N2O.C2H6/c1-8-4-6-11(7-5-8)9(12)10(2)3;1-2/h4H,5-7H2,1-3H3;1-2H3
InChIKeyVRHMRBBPAGTICF-UHFFFAOYSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.35
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;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 145061513) is ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC.CC1=CCN(C(=O)N(C)C)CC1.
What is the InChIKey of ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is VRHMRBBPAGTICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-8-4-6-11(7-5-8)9(12)10(2)3;1-2/h4H,5-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide?
ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 145061513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).