ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine

C13H24N2 — CID 176983570

IUPACethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine
SMILESC=C/N=C1\CCCN(CC)\C1=C\C.CC
InChIInChI=1S/C11H18N2.C2H6/c1-4-11-10(12-5-2)8-7-9-13(11)6-3;1-2/h4-5H,2,6-9H2,1,3H3;1-2H3/b11-4+,12-10+;
InChIKeyBBWZXKSVYBBNKF-ZXJCDKFVSA-N
MW208.35 g/mol
LogP3.62
Rot. Bonds2

About ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine

ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine (PubChem CID 176983570) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine.

Molecular Properties

Compound Nameethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine
PubChem CID176983570
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine
SMILESC=C/N=C1\CCCN(CC)\C1=C\C.CC
InChIInChI=1S/C11H18N2.C2H6/c1-4-11-10(12-5-2)8-7-9-13(11)6-3;1-2/h4-5H,2,6-9H2,1,3H3;1-2H3/b11-4+,12-10+;
InChIKeyBBWZXKSVYBBNKF-ZXJCDKFVSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Piperidin-1-ylethyl)azocine;dihydrochloride
CID 67711383
5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
N-ethyl-2-methylidene-1-penta-1,3-dien-2-ylpiperidin-3-imine
CID 123613234
5,10-Dimethyl-1,2,3,4,8,9-hexahydropyrido[3,2-b]azocin-5-ium
CID 123870333
6-methyl-1-propan-2-yl-3,4,6,7-tetrahydro-2H-1,5-naphthyridine
CID 134253863
(Z)-5-ethenylimino-N-ethyl-N-methyloct-6-en-1-amine
CID 134386167
2,7-Dimethyl-4,6,8,9-tetrahydropyrido[4,3-b]azepine
CID 134406498
(2E,5E,7E,9Z)-N-ethenyl-6,7-diethyl-3-methyl-2-piperidin-1-yldodeca-2,5,7,9,11-pentaen-4-imine;methane
CID 141961098
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(4Z)-N-ethenyl-4-ethylidene-1-methylpiperidin-3-imine;methane
CID 142162049
(3Z)-N-ethenyl-3-ethylidene-1-methylpiperidin-4-imine
CID 143453432
1-propan-2-yl-3,4,6,7-tetrahydro-2H-1,5-naphthyridine
CID 156119645

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine?
The IUPAC name of ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine (CID 176983570) is ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine.
What is the SMILES notation for ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine?
The canonical SMILES for ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine is C=C/N=C1\CCCN(CC)\C1=C\C.CC.
What is the InChIKey of ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine?
The InChIKey is BBWZXKSVYBBNKF-ZXJCDKFVSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-4-11-10(12-5-2)8-7-9-13(11)6-3;1-2/h4-5H,2,6-9H2,1,3H3;1-2H3/b11-4+,12-10+;.
What are the key properties of ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine?
ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine has a molecular weight of 208.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-ethenyl-1-ethyl-2-ethylidenepiperidin-3-imine is sourced from PubChem (CID 176983570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).