ethane;2-methyl-5-prop-1-en-2-ylpiperidine

C11H23N — CID 143955631

IUPACethane;2-methyl-5-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCC(C)NC1.CC
InChIInChI=1S/C9H17N.C2H6/c1-7(2)9-5-4-8(3)10-6-9;1-2/h8-10H,1,4-6H2,2-3H3;1-2H3
InChIKeyUNUDONLVNGTQNY-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds1

About ethane;2-methyl-5-prop-1-en-2-ylpiperidine

ethane;2-methyl-5-prop-1-en-2-ylpiperidine (PubChem CID 143955631) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;2-methyl-5-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Nameethane;2-methyl-5-prop-1-en-2-ylpiperidine
PubChem CID143955631
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;2-methyl-5-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCC(C)NC1.CC
InChIInChI=1S/C9H17N.C2H6/c1-7(2)9-5-4-8(3)10-6-9;1-2/h8-10H,1,4-6H2,2-3H3;1-2H3
InChIKeyUNUDONLVNGTQNY-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-methyl-5-prop-1-en-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-prop-1-en-2-ylpiperidine?
The IUPAC name of ethane;2-methyl-5-prop-1-en-2-ylpiperidine (CID 143955631) is ethane;2-methyl-5-prop-1-en-2-ylpiperidine.
What is the SMILES notation for ethane;2-methyl-5-prop-1-en-2-ylpiperidine?
The canonical SMILES for ethane;2-methyl-5-prop-1-en-2-ylpiperidine is C=C(C)C1CCC(C)NC1.CC.
What is the InChIKey of ethane;2-methyl-5-prop-1-en-2-ylpiperidine?
The InChIKey is UNUDONLVNGTQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-7(2)9-5-4-8(3)10-6-9;1-2/h8-10H,1,4-6H2,2-3H3;1-2H3.
What are the key properties of ethane;2-methyl-5-prop-1-en-2-ylpiperidine?
ethane;2-methyl-5-prop-1-en-2-ylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 143955631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).