ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine

C13H26N2 — CID 142358571

IUPACethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
SMILESCC.CC1=C(/N=C(\C)C(C)C)CCNC1
InChIInChI=1S/C11H20N2.C2H6/c1-8(2)10(4)13-11-5-6-12-7-9(11)3;1-2/h8,12H,5-7H2,1-4H3;1-2H3/b13-10+;
InChIKeyOKSJHESZEYUPTH-RSGUCCNWSA-N
MW210.36 g/mol
LogP3.40
Rot. Bonds2

About ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine

ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine (PubChem CID 142358571) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine.

Molecular Properties

Compound Nameethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
PubChem CID142358571
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
SMILESCC.CC1=C(/N=C(\C)C(C)C)CCNC1
InChIInChI=1S/C11H20N2.C2H6/c1-8(2)10(4)13-11-5-6-12-7-9(11)3;1-2/h8,12H,5-7H2,1-4H3;1-2H3/b13-10+;
InChIKeyOKSJHESZEYUPTH-RSGUCCNWSA-N
XLogP3.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6S)-5-methyl-6-propan-2-yl-1,2,3,6-tetrahydropyridin-4-yl]ethanimine
CID 126545166
5-(N-methyl-C-propan-2-ylcarbonimidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 134172196
N-[1-(azetidin-3-yl)-5-methyl-3,6-dihydro-2H-pyridin-4-yl]-3-methylbutan-2-imine;ethane
CID 142358552
N,N'-dimethyl-N'-[(E)-2-(3-methylbutan-2-ylideneamino)pent-2-en-3-yl]ethane-1,2-diamine
CID 142358558
3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine
CID 142358572
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-methylbutan-2-imine
CID 142358629
2-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)pentan-3-imine
CID 142358650
N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)propan-2-imine
CID 143722639
3,3-dimethyl-5-(N-methyl-C-propan-2-ylcarbonimidoyl)-2,6-dihydro-1H-pyridin-4-amine
CID 145150228
6-(2-Methylpropanimidoyl)-1,2,3,4-tetrahydropyridin-5-amine
CID 145188106
5-(C,N-dimethylcarbonimidoyl)-1-methyl-3,6-dihydro-2H-pyridin-4-amine;ethane
CID 145577356
(5-Ethanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)-methylazanium
CID 149065720

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
The IUPAC name of ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine (CID 142358571) is ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine.
What is the SMILES notation for ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
The canonical SMILES for ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine is CC.CC1=C(/N=C(\C)C(C)C)CCNC1.
What is the InChIKey of ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
The InChIKey is OKSJHESZEYUPTH-RSGUCCNWSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-8(2)10(4)13-11-5-6-12-7-9(11)3;1-2/h8,12H,5-7H2,1-4H3;1-2H3/b13-10+;.
What are the key properties of ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine?
ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine has a molecular weight of 210.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)butan-2-imine is sourced from PubChem (CID 142358571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).