ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine

C14H30N2 — CID 142615654

IUPACethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine
SMILESCC.CCCC1CCN(C)/C(=N\C)C1CC
InChIInChI=1S/C12H24N2.C2H6/c1-5-7-10-8-9-14(4)12(13-3)11(10)6-2;1-2/h10-11H,5-9H2,1-4H3;1-2H3/b13-12-;
InChIKeyZVPIHQQPBOKFKW-USGGBSEESA-N
MW226.41 g/mol
LogP3.82
Rot. Bonds3

About ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine

ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine (PubChem CID 142615654) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine.

Molecular Properties

Compound Nameethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine
PubChem CID142615654
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Nameethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine
SMILESCC.CCCC1CCN(C)/C(=N\C)C1CC
InChIInChI=1S/C12H24N2.C2H6/c1-5-7-10-8-9-14(4)12(13-3)11(10)6-2;1-2/h10-11H,5-9H2,1-4H3;1-2H3/b13-12-;
InChIKeyZVPIHQQPBOKFKW-USGGBSEESA-N
XLogP3.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.82
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;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine?
The IUPAC name of ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine (CID 142615654) is ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine.
What is the SMILES notation for ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine?
The canonical SMILES for ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine is CC.CCCC1CCN(C)/C(=N\C)C1CC.
What is the InChIKey of ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine?
The InChIKey is ZVPIHQQPBOKFKW-USGGBSEESA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-5-7-10-8-9-14(4)12(13-3)11(10)6-2;1-2/h10-11H,5-9H2,1-4H3;1-2H3/b13-12-;.
What are the key properties of ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine?
ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine has a molecular weight of 226.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-N,1-dimethyl-4-propylpiperidin-2-imine is sourced from PubChem (CID 142615654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).