ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine

C11H22N2 — CID 142384557

IUPACethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
SMILESCC.CCC1=C(/C=N/C)CNCC1
InChIInChI=1S/C9H16N2.C2H6/c1-3-8-4-5-11-7-9(8)6-10-2;1-2/h6,11H,3-5,7H2,1-2H3;1-2H3/b10-6+;
InChIKeyIRCBDAPFSDDHPW-AAGWESIMSA-N
MW182.31 g/mol
LogP2.41
Rot. Bonds2

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

ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine (PubChem CID 142384557) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine.

Molecular Properties

Compound Nameethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
PubChem CID142384557
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine
SMILESCC.CCC1=C(/C=N/C)CNCC1
InChIInChI=1S/C9H16N2.C2H6/c1-3-8-4-5-11-7-9(8)6-10-2;1-2/h6,11H,3-5,7H2,1-2H3;1-2H3/b10-6+;
InChIKeyIRCBDAPFSDDHPW-AAGWESIMSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.41
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

(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
CID 89009886
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(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
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
1,2,3,4,5,8-Hexahydro-2,7-naphthyridine
CID 123531932
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
(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
ethane;N-ethyl-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 142338403

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
The IUPAC name of ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine (CID 142384557) is ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine.
What is the SMILES notation for ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
The canonical SMILES for ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine is CC.CCC1=C(/C=N/C)CNCC1.
What is the InChIKey of ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
The InChIKey is IRCBDAPFSDDHPW-AAGWESIMSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-3-8-4-5-11-7-9(8)6-10-2;1-2/h6,11H,3-5,7H2,1-2H3;1-2H3/b10-6+;.
What are the key properties of ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine?
ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine has a molecular weight of 182.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethyl-1,2,3,6-tetrahydropyridin-5-yl)-N-methylmethanimine is sourced from PubChem (CID 142384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).