1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine

C12H22N2 — CID 176942528

IUPAC1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine
SMILES[H]/N=C(\CCC)C1=CCCN(C)C1CC
InChIInChI=1S/C12H22N2/c1-4-7-11(13)10-8-6-9-14(3)12(10)5-2/h8,12-13H,4-7,9H2,1-3H3/b13-11+
InChIKeyWZNHIFIFOIENKO-ACCUITESSA-N
MW194.32 g/mol
LogP2.85
Rot. Bonds4

About 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine

1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine (PubChem CID 176942528) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine.

Molecular Properties

Compound Name1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine
PubChem CID176942528
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine
SMILES[H]/N=C(\CCC)C1=CCCN(C)C1CC
InChIInChI=1S/C12H22N2/c1-4-7-11(13)10-8-6-9-14(3)12(10)5-2/h8,12-13H,4-7,9H2,1-3H3/b13-11+
InChIKeyWZNHIFIFOIENKO-ACCUITESSA-N
XLogP2.85
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine?
The IUPAC name of 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine (CID 176942528) is 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine.
What is the SMILES notation for 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine?
The canonical SMILES for 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine is [H]/N=C(\CCC)C1=CCCN(C)C1CC.
What is the InChIKey of 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine?
The InChIKey is WZNHIFIFOIENKO-ACCUITESSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-11(13)10-8-6-9-14(3)12(10)5-2/h8,12-13H,4-7,9H2,1-3H3/b13-11+.
What are the key properties of 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine?
1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1-methyl-3,6-dihydro-2H-pyridin-5-yl)butan-1-imine is sourced from PubChem (CID 176942528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).