(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine

C10H18N2 — CID 145074381

IUPAC(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C1CCC(C)NC1
InChIInChI=1S/C10H18N2/c1-3-9(6-11)10-5-4-8(2)12-7-10/h3,6,8,10-12H,4-5,7H2,1-2H3/b9-3+,11-6+
InChIKeySOCQMIIWIYSTAK-XNYWHNRVSA-N
MW166.27 g/mol
LogP1.97
Rot. Bonds2

About (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine

(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine (PubChem CID 145074381) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
PubChem CID145074381
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine
SMILES[H]/N=C/C(=C\C)C1CCC(C)NC1
InChIInChI=1S/C10H18N2/c1-3-9(6-11)10-5-4-8(2)12-7-10/h3,6,8,10-12H,4-5,7H2,1-2H3/b9-3+,11-6+
InChIKeySOCQMIIWIYSTAK-XNYWHNRVSA-N
XLogP1.97
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
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 (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine (CID 145074381) is (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine is [H]/N=C/C(=C\C)C1CCC(C)NC1.
What is the InChIKey of (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
The InChIKey is SOCQMIIWIYSTAK-XNYWHNRVSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-9(6-11)10-5-4-8(2)12-7-10/h3,6,8,10-12H,4-5,7H2,1-2H3/b9-3+,11-6+.
What are the key properties of (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine?
(Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(6-methylpiperidin-3-yl)but-2-en-1-imine is sourced from PubChem (CID 145074381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).