N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine

C12H20N2 — CID 89192319

IUPACN-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine
SMILESC=C/C(=N\C=C(C)C)N1CCCCC1
InChIInChI=1S/C12H20N2/c1-4-12(13-10-11(2)3)14-8-6-5-7-9-14/h4,10H,1,5-9H2,2-3H3/b13-12+
InChIKeyLRCFWBQTMIYQHR-OUKQBFOZSA-N
MW192.31 g/mol
LogP2.98
Rot. Bonds2

About N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine

N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine (PubChem CID 89192319) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine
PubChem CID89192319
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine
SMILESC=C/C(=N\C=C(C)C)N1CCCCC1
InChIInChI=1S/C12H20N2/c1-4-12(13-10-11(2)3)14-8-6-5-7-9-14/h4,10H,1,5-9H2,2-3H3/b13-12+
InChIKeyLRCFWBQTMIYQHR-OUKQBFOZSA-N
XLogP2.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine?
The IUPAC name of N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine (CID 89192319) is N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine.
What is the SMILES notation for N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine?
The canonical SMILES for N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine is C=C/C(=N\C=C(C)C)N1CCCCC1.
What is the InChIKey of N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine?
The InChIKey is LRCFWBQTMIYQHR-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12(13-10-11(2)3)14-8-6-5-7-9-14/h4,10H,1,5-9H2,2-3H3/b13-12+.
What are the key properties of N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine?
N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine has a molecular weight of 192.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)-1-piperidin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 89192319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).