ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine

C11H22N2 — CID 163400517

IUPACethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
SMILESCC.CC/N=C1\CC(C)C=CN1C
InChIInChI=1S/C9H16N2.C2H6/c1-4-10-9-7-8(2)5-6-11(9)3;1-2/h5-6,8H,4,7H2,1-3H3;1-2H3/b10-9+;
InChIKeyKHGMURKBANFPCE-RRABGKBLSA-N
MW182.31 g/mol
LogP2.92
Rot. Bonds1

About ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine

ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine (PubChem CID 163400517) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine.

Molecular Properties

Compound Nameethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
PubChem CID163400517
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine
SMILESCC.CC/N=C1\CC(C)C=CN1C
InChIInChI=1S/C9H16N2.C2H6/c1-4-10-9-7-8(2)5-6-11(9)3;1-2/h5-6,8H,4,7H2,1-3H3;1-2H3/b10-9+;
InChIKeyKHGMURKBANFPCE-RRABGKBLSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine
CID 130220586
N,N-bis(prop-2-enyl)-3,4-dihydropyridin-2-amine
CID 70579189
N,N-dimethyl-3,4-dihydropyridine-4-carboximidamide
CID 89339684
N-ethyl-N,3-dimethyl-4,5-dihydro-3H-azepin-2-amine
CID 91491983
N-ethenyl-N,N',3-trimethylbutanimidamide
CID 118581518
N-butyl-3-methyl-N-propyl-3,4-dihydropyridin-2-amine
CID 123537710
4-tert-butyl-N,N-dimethyl-3,4-dihydropyridin-2-amine
CID 129191316
9-methyl-8,9-dihydro-4H-pyrido[1,2-a]pyrimidine
CID 135245105
N-methyl-1-[(E)-3-methylbut-1-enyl]piperidin-2-imine
CID 137413297
N'-[(Z)-but-1-enyl]-N,N,2,2-tetramethylpropanimidamide
CID 138462131
2-N,2-N,6-N,6-N,3-pentamethyl-3,4-dihydropyridine-2,6-diamine
CID 139544197
ethane;N'-[(1Z)-2-ethylbuta-1,3-dienyl]-2-methyl-N,N-dipropylbutanimidamide
CID 142121541

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine?
The IUPAC name of ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine (CID 163400517) is ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine.
What is the SMILES notation for ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine?
The canonical SMILES for ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine is CC.CC/N=C1\CC(C)C=CN1C.
What is the InChIKey of ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine?
The InChIKey is KHGMURKBANFPCE-RRABGKBLSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-10-9-7-8(2)5-6-11(9)3;1-2/h5-6,8H,4,7H2,1-3H3;1-2H3/b10-9+;.
What are the key properties of ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine?
ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine has a molecular weight of 182.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1,4-dimethyl-3,4-dihydropyridin-2-imine is sourced from PubChem (CID 163400517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).