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

C12H26N2 — CID 142384168

IUPACethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
SMILESC/N=C/C1=C(C)CCNC1.CC.CC
InChIInChI=1S/C8H14N2.2C2H6/c1-7-3-4-10-6-8(7)5-9-2;2*1-2/h5,10H,3-4,6H2,1-2H3;2*1-2H3/b9-5+;;
InChIKeyMXFPGRSYOAQOED-KJDUPKRESA-N
MW198.35 g/mol
LogP3.05
Rot. Bonds1

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

ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine (PubChem CID 142384168) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine.

Molecular Properties

Compound Nameethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
PubChem CID142384168
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
SMILESC/N=C/C1=C(C)CCNC1.CC.CC
InChIInChI=1S/C8H14N2.2C2H6/c1-7-3-4-10-6-8(7)5-9-2;2*1-2/h5,10H,3-4,6H2,1-2H3;2*1-2H3/b9-5+;;
InChIKeyMXFPGRSYOAQOED-KJDUPKRESA-N
XLogP3.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.05
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

7,7-Dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
CID 58117541
N-methyl-4-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 68179646
(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
CID 89009886
(4-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 91200283
2-methyl-4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-2-ium
CID 123319751
(5-Methanimidoyl-1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 123963812
1-(2,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-N-methylmethanimine
CID 130182248
1,2,3,4,7,8-Hexahydro-2,6-naphthyridine
CID 135180853
N-[(3-ethyl-5-methyl-2,3-dihydropyridin-4-yl)methyl]propan-1-amine
CID 138576724
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-methylmethanimine
CID 139458500
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
1-(1,4-dimethyl-3,6-dihydro-2H-pyridin-5-yl)-N-ethylmethanimine;ethane
CID 142050102

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The IUPAC name of ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine (CID 142384168) is ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine.
What is the SMILES notation for ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The canonical SMILES for ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine is C/N=C/C1=C(C)CCNC1.CC.CC.
What is the InChIKey of ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
The InChIKey is MXFPGRSYOAQOED-KJDUPKRESA-N. The full InChI is InChI=1S/C8H14N2.2C2H6/c1-7-3-4-10-6-8(7)5-9-2;2*1-2/h5,10H,3-4,6H2,1-2H3;2*1-2H3/b9-5+;;.
What are the key properties of ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine?
ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine has a molecular weight of 198.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine is sourced from PubChem (CID 142384168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).