N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane

C12H22N2 — CID 145197693

IUPACN-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane
SMILESC=C1CNCC/C1=N\C(C)=C/C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9(3)12-10-5-6-11-7-8(10)2;1-2/h4,11H,2,5-7H2,1,3H3;1-2H3/b9-4-,12-10+;
InChIKeyAXSHZYVJBGXTMQ-QTXOFNCWSA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds1

About N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane

N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane (PubChem CID 145197693) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane
PubChem CID145197693
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane
SMILESC=C1CNCC/C1=N\C(C)=C/C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-4-9(3)12-10-5-6-11-7-8(10)2;1-2/h4,11H,2,5-7H2,1,3H3;1-2H3/b9-4-,12-10+;
InChIKeyAXSHZYVJBGXTMQ-QTXOFNCWSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane (CID 145197693) is N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane is C=C1CNCC/C1=N\C(C)=C/C.CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane?
The InChIKey is AXSHZYVJBGXTMQ-QTXOFNCWSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-4-9(3)12-10-5-6-11-7-8(10)2;1-2/h4,11H,2,5-7H2,1,3H3;1-2H3/b9-4-,12-10+;.
What are the key properties of N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane?
N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane has a molecular weight of 194.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-3-methylidenepiperidin-4-imine;ethane is sourced from PubChem (CID 145197693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).