1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine

C12H22N2 — CID 57052285

IUPAC1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
SMILESCCC1=CN(CC)C/C(=N/C(C)C)C1
InChIInChI=1S/C12H22N2/c1-5-11-7-12(13-10(3)4)9-14(6-2)8-11/h8,10H,5-7,9H2,1-4H3/b13-12+
InChIKeyGTJDMKHGMMWDIV-OUKQBFOZSA-N
MW194.32 g/mol
LogP2.86
Rot. Bonds3

About 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine

1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine (PubChem CID 57052285) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine.

Molecular Properties

Compound Name1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
PubChem CID57052285
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
SMILESCCC1=CN(CC)C/C(=N/C(C)C)C1
InChIInChI=1S/C12H22N2/c1-5-11-7-12(13-10(3)4)9-14(6-2)8-11/h8,10H,5-7,9H2,1-4H3/b13-12+
InChIKeyGTJDMKHGMMWDIV-OUKQBFOZSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,5-Diethyl-2-fluoro-2,4-dihydropyridin-3-imine
CID 57322744
2-(Dimethylaminomethylene)cyclohexanone butylimine
CID 129778991
N-ethyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
CID 56613844
1,5-dimethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 56614183
5-Methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56616930
1,5-diethyl-N-methyl-2,4-dihydropyridin-3-imine
CID 56617025
2-[(1,5-dimethyl-2,4-dihydropyridin-3-ylidene)amino]-N,N-dimethylethanamine
CID 56621105
2-Butyl-1,5-dimethyl-2,4-dihydropyridin-3-imine
CID 56626073
1,5-dimethyl-N-prop-2-enyl-2,4-dihydropyridin-3-imine
CID 56627199
N,N-diethyl-3-(3-imino-1,5-dimethyl-2,4-dihydropyridin-2-yl)propan-1-amine
CID 56633612
1,5-Diethyl-2,4-dihydropyridin-3-imine
CID 56635574
1,5-dimethyl-N-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56636914

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The IUPAC name of 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine (CID 57052285) is 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine.
What is the SMILES notation for 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The canonical SMILES for 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine is CCC1=CN(CC)C/C(=N/C(C)C)C1.
What is the InChIKey of 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
The InChIKey is GTJDMKHGMMWDIV-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-11-7-12(13-10(3)4)9-14(6-2)8-11/h8,10H,5-7,9H2,1-4H3/b13-12+.
What are the key properties of 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine?
1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine has a molecular weight of 194.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine is sourced from PubChem (CID 57052285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).