(3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane

C12H22N2 — CID 156639736

IUPAC(3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane
SMILESC/C=C\C=C1\CNCC\C1=N/C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-4-5-9-8-12-7-6-10(9)11-2;1-2/h3-5,12H,6-8H2,1-2H3;1-2H3/b4-3-,9-5-,11-10+;
InChIKeyURBHIJBYRXSVNO-KIVLKHSHSA-N
MW194.32 g/mol
LogP2.58
Rot. Bonds1

About (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane

(3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane (PubChem CID 156639736) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane.

Molecular Properties

Compound Name(3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane
PubChem CID156639736
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane
SMILESC/C=C\C=C1\CNCC\C1=N/C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-3-4-5-9-8-12-7-6-10(9)11-2;1-2/h3-5,12H,6-8H2,1-2H3;1-2H3/b4-3-,9-5-,11-10+;
InChIKeyURBHIJBYRXSVNO-KIVLKHSHSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.58
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

Tetrahydro-1h-pyrido[4,3-b]indole
CID 56981217
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
4,4-difluoropiperidine;ethane;3-methyl-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]but-3-en-2-imine;2-methylprop-1-ene;pent-1-ene
CID 143722040
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
Hexahydroazonino[5,6-b]indole
CID 129799442
Indole and spiropiperidine
CID 129819653
Bis(3 pyridylidene)piperidin
CID 132275763
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole
CID 15887273
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
2,3,4,5-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018480
2,3,4,9-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 22917775
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane?
The IUPAC name of (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane (CID 156639736) is (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane.
What is the SMILES notation for (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane?
The canonical SMILES for (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane is C/C=C\C=C1\CNCC\C1=N/C.CC.
What is the InChIKey of (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane?
The InChIKey is URBHIJBYRXSVNO-KIVLKHSHSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-3-4-5-9-8-12-7-6-10(9)11-2;1-2/h3-5,12H,6-8H2,1-2H3;1-2H3/b4-3-,9-5-,11-10+;.
What are the key properties of (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane?
(3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane has a molecular weight of 194.32 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-but-2-enylidene]-N-methylpiperidin-4-imine;ethane is sourced from PubChem (CID 156639736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).