1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine

C11H19N3 — CID 118544356

IUPAC1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C(=N\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C11H19N3/c1-3-6-13-11(9-12)14-7-4-10(2)5-8-14/h3,6,9-10,12H,4-5,7-8H2,1-2H3/b6-3-,12-9+,13-11+
InChIKeyOPSDYICDIUPADX-VLNHDMJHSA-N
MW193.29 g/mol
LogP2.30
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine

1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine (PubChem CID 118544356) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine
PubChem CID118544356
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C(=N\C=C/C)N1CCC(C)CC1
InChIInChI=1S/C11H19N3/c1-3-6-13-11(9-12)14-7-4-10(2)5-8-14/h3,6,9-10,12H,4-5,7-8H2,1-2H3/b6-3-,12-9+,13-11+
InChIKeyOPSDYICDIUPADX-VLNHDMJHSA-N
XLogP2.30
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine (CID 118544356) is 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine is [H]/N=C/C(=N\C=C/C)N1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine?
The InChIKey is OPSDYICDIUPADX-VLNHDMJHSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-6-13-11(9-12)14-7-4-10(2)5-8-14/h3,6,9-10,12H,4-5,7-8H2,1-2H3/b6-3-,12-9+,13-11+.
What are the key properties of 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine?
1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine has a molecular weight of 193.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-N-[(Z)-prop-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 118544356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).