ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine

C11H22N2 — CID 142070283

IUPACethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/CCCNC1C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-3-10-7-9-5-4-6-11-8(9)2;1-2/h3,7-8,11H,4-6H2,1-2H3;1-2H3/b9-7-,10-3+;
InChIKeyOLIGWXVHBNEYAS-KWKHFNAQSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds1

About ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine

ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine (PubChem CID 142070283) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine.

Molecular Properties

Compound Nameethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine
PubChem CID142070283
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine
SMILESC/C=N/C=C1/CCCNC1C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-3-10-7-9-5-4-6-11-8(9)2;1-2/h3,7-8,11H,4-6H2,1-2H3;1-2H3/b9-7-,10-3+;
InChIKeyOLIGWXVHBNEYAS-KWKHFNAQSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
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

2-(1,2,3,4-Tetrahydropyridin-5-yl)-2,3,4,5-tetrahydropyridine
CID 91440913
6-(3-Methylbut-3-enyl)-1,2-dihydropyrazine
CID 117656494
N-[(Z)-(2-methylidenepiperidin-3-ylidene)methyl]ethanimine
CID 142054800
N-[(Z)-[(2Z)-2-butan-2-ylidenepiperidin-3-ylidene]methyl]ethanimine
CID 142253748
1-(3,4-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 142884393
2-(3,4-dihydropyridin-5-yl)-N-methylethanamine;3-methylbuta-1,2-diene;molecular hydrogen;hydrobromide
CID 143587088
(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine
CID 145285267
N-[(Z)-(2-propan-2-ylidenepiperidin-3-ylidene)methyl]ethanimine
CID 145448920
(Z)-(3-butan-2-yliminopiperidin-4-ylidene)methanamine
CID 146229741
N-(3,4-dihydropyridin-5-ylmethyl)-2-methylpropan-2-amine
CID 154993224
(4-Ethyl-6-methyl-5-methylidene-1,3-diazinan-2-yl)methanimine
CID 166932956
1,2,3,4,8,8a-Hexahydro-1,6-naphthyridin-6-ium
CID 173071640

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine?
The IUPAC name of ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine (CID 142070283) is ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine.
What is the SMILES notation for ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine?
The canonical SMILES for ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine is C/C=N/C=C1/CCCNC1C.CC.
What is the InChIKey of ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine?
The InChIKey is OLIGWXVHBNEYAS-KWKHFNAQSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-3-10-7-9-5-4-6-11-8(9)2;1-2/h3,7-8,11H,4-6H2,1-2H3;1-2H3/b9-7-,10-3+;.
What are the key properties of ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine?
ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine has a molecular weight of 182.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-(2-methylpiperidin-3-ylidene)methyl]ethanimine is sourced from PubChem (CID 142070283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).