1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine

C12H22N2 — CID 139539045

IUPAC1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
SMILES[H]/N=C(/CC1=C(C)CCN(C)C1)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)12(13)7-11-8-14(4)6-5-10(11)3/h9,13H,5-8H2,1-4H3/b13-12-
InChIKeyXEHWGEOMJDHVBR-SEYXRHQNSA-N
MW194.32 g/mol
LogP2.70
Rot. Bonds3

About 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine

1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine (PubChem CID 139539045) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine.

Molecular Properties

Compound Name1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
PubChem CID139539045
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
SMILES[H]/N=C(/CC1=C(C)CCN(C)C1)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)12(13)7-11-8-14(4)6-5-10(11)3/h9,13H,5-8H2,1-4H3/b13-12-
InChIKeyXEHWGEOMJDHVBR-SEYXRHQNSA-N
XLogP2.70
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
The IUPAC name of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine (CID 139539045) is 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine.
What is the SMILES notation for 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
The canonical SMILES for 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine is [H]/N=C(/CC1=C(C)CCN(C)C1)C(C)C.
What is the InChIKey of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
The InChIKey is XEHWGEOMJDHVBR-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)12(13)7-11-8-14(4)6-5-10(11)3/h9,13H,5-8H2,1-4H3/b13-12-.
What are the key properties of 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine is sourced from PubChem (CID 139539045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).