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

C13H24N2 — CID 142358629

IUPACN-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
SMILESCCC1=C(/N=C(\C)C(C)C)CCN(C)C1
InChIInChI=1S/C13H24N2/c1-6-12-9-15(5)8-7-13(12)14-11(4)10(2)3/h10H,6-9H2,1-5H3/b14-11+
InChIKeyOSEUFKWPDLIOSP-SDNWHVSQSA-N
MW208.35 g/mol
LogP3.10
Rot. Bonds3

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

N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine (PubChem CID 142358629) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
PubChem CID142358629
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
SMILESCCC1=C(/N=C(\C)C(C)C)CCN(C)C1
InChIInChI=1S/C13H24N2/c1-6-12-9-15(5)8-7-13(12)14-11(4)10(2)3/h10H,6-9H2,1-5H3/b14-11+
InChIKeyOSEUFKWPDLIOSP-SDNWHVSQSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.10
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

ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358571
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine
CID 145046783
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-imine
CID 145046784
5-(C,N-dimethylcarbonimidoyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 145577356
1,3,3-trimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydropyridin-4-amine
CID 146589714
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
CID 163465018
N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-3-methylbutan-2-imine
CID 166945040
2,2,3-Trimethyl-1,5,6-tri(propan-2-yl)pyrazine
CID 170037449
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493
N-(1-ethyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
CID 174295829
2-methyl-N-(5-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)butan-1-imine
CID 174306415

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine?
The IUPAC name of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine (CID 142358629) is N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine.
What is the SMILES notation for N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine?
The canonical SMILES for N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine is CCC1=C(/N=C(\C)C(C)C)CCN(C)C1.
What is the InChIKey of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine?
The InChIKey is OSEUFKWPDLIOSP-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-12-9-15(5)8-7-13(12)14-11(4)10(2)3/h10H,6-9H2,1-5H3/b14-11+.
What are the key properties of N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine?
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine has a molecular weight of 208.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine is sourced from PubChem (CID 142358629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).