ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine

C14H28N2 — CID 142357293

IUPACethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine
SMILESCC.CCCN1CCCC/C1=N\C=C(C)C
InChIInChI=1S/C12H22N2.C2H6/c1-4-8-14-9-6-5-7-12(14)13-10-11(2)3;1-2/h10H,4-9H2,1-3H3;1-2H3/b13-12+;
InChIKeyNDWKPDHKLPZRFA-UEIGIMKUSA-N
MW224.39 g/mol
LogP4.23
Rot. Bonds3

About ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine

ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine (PubChem CID 142357293) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine.

Molecular Properties

Compound Nameethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine
PubChem CID142357293
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine
SMILESCC.CCCN1CCCC/C1=N\C=C(C)C
InChIInChI=1S/C12H22N2.C2H6/c1-4-8-14-9-6-5-7-12(14)13-10-11(2)3;1-2/h10H,4-9H2,1-3H3;1-2H3/b13-12+;
InChIKeyNDWKPDHKLPZRFA-UEIGIMKUSA-N
XLogP4.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine?
The IUPAC name of ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine (CID 142357293) is ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine.
What is the SMILES notation for ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine?
The canonical SMILES for ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine is CC.CCCN1CCCC/C1=N\C=C(C)C.
What is the InChIKey of ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine?
The InChIKey is NDWKPDHKLPZRFA-UEIGIMKUSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-4-8-14-9-6-5-7-12(14)13-10-11(2)3;1-2/h10H,4-9H2,1-3H3;1-2H3/b13-12+;.
What are the key properties of ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine?
ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine has a molecular weight of 224.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylprop-1-enyl)-1-propylpiperidin-2-imine is sourced from PubChem (CID 142357293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).