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

C12H22N2 — CID 166945040

IUPACN-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CN(C)CC1
InChIInChI=1S/C12H22N2/c1-9(2)11(4)13-12-8-14(5)7-6-10(12)3/h9H,6-8H2,1-5H3/b13-11+
InChIKeyJQDQJGWTOCETSP-ACCUITESSA-N
MW194.32 g/mol
LogP2.71
Rot. Bonds2

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

N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine (PubChem CID 166945040) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
PubChem CID166945040
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
SMILESCC1=C(/N=C(\C)C(C)C)CN(C)CC1
InChIInChI=1S/C12H22N2/c1-9(2)11(4)13-12-8-14(5)7-6-10(12)3/h9H,6-8H2,1-5H3/b13-11+
InChIKeyJQDQJGWTOCETSP-ACCUITESSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
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 N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
The IUPAC name of N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine (CID 166945040) is N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine.
What is the SMILES notation for N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
The canonical SMILES for N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine is CC1=C(/N=C(\C)C(C)C)CN(C)CC1.
What is the InChIKey of N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
The InChIKey is JQDQJGWTOCETSP-ACCUITESSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)11(4)13-12-8-14(5)7-6-10(12)3/h9H,6-8H2,1-5H3/b13-11+.
What are the key properties of N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine?
N-(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 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine is sourced from PubChem (CID 166945040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).