(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane

C10H20N2 — CID 166143534

IUPAC(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane
SMILESC.C/C=N/N1CCCC/C1=C\C
InChIInChI=1S/C9H16N2.CH4/c1-3-9-7-5-6-8-11(9)10-4-2;/h3-4H,5-8H2,1-2H3;1H4/b9-3+,10-4+;
InChIKeyNLOLVHRQVFJELF-RUACYTINSA-N
MW168.28 g/mol
LogP3.02
Rot. Bonds1

About (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane

(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane (PubChem CID 166143534) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane.

Molecular Properties

Compound Name(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane
PubChem CID166143534
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane
SMILESC.C/C=N/N1CCCC/C1=C\C
InChIInChI=1S/C9H16N2.CH4/c1-3-9-7-5-6-8-11(9)10-4-2;/h3-4H,5-8H2,1-2H3;1H4/b9-3+,10-4+;
InChIKeyNLOLVHRQVFJELF-RUACYTINSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.02
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

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6-butyl-1-methyl-4H-pyridazine
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(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
ethane;(Z)-N-(2-methylidenepiperidin-1-yl)ethanimine
CID 144462059
(Z)-N-(2-methylidenepiperidin-1-yl)prop-2-en-1-imine
CID 155140094
N-[(2Z)-2-ethylidenepiperidin-1-yl]methanimine
CID 156446432
N-(2-methylidenepiperidin-1-yl)propan-2-imine
CID 167004021
N-[(2Z)-2-ethylidene-3-methylpiperidin-1-yl]methanimine
CID 169193514
(Z)-N-[(2Z)-2-ethylidenepiperidin-1-yl]ethanimine
CID 169587677
(E,E)-N-piperidin-1-ylhex-2-en-1-imine
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(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine
CID 140972578

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane?
The IUPAC name of (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane (CID 166143534) is (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane.
What is the SMILES notation for (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane?
The canonical SMILES for (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane is C.C/C=N/N1CCCC/C1=C\C.
What is the InChIKey of (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane?
The InChIKey is NLOLVHRQVFJELF-RUACYTINSA-N. The full InChI is InChI=1S/C9H16N2.CH4/c1-3-9-7-5-6-8-11(9)10-4-2;/h3-4H,5-8H2,1-2H3;1H4/b9-3+,10-4+;.
What are the key properties of (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane?
(E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane has a molecular weight of 168.28 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E)-2-ethylidenepiperidin-1-yl]ethanimine;methane is sourced from PubChem (CID 166143534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).