4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine

C11H22N2 — CID 77110314

IUPAC4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
SMILESCC1CCCN(CC=CCN)C1C
InChIInChI=1S/C11H22N2/c1-10-6-5-9-13(11(10)2)8-4-3-7-12/h3-4,10-11H,5-9,12H2,1-2H3
InChIKeyXGCBBLNVKFEMPC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds3

About 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine

4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine (PubChem CID 77110314) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
PubChem CID77110314
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
SMILESCC1CCCN(CC=CCN)C1C
InChIInChI=1S/C11H22N2/c1-10-6-5-9-13(11(10)2)8-4-3-7-12/h3-4,10-11H,5-9,12H2,1-2H3
InChIKeyXGCBBLNVKFEMPC-UHFFFAOYSA-N
XLogP1.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine 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 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine (CID 77110314) is 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine is CC1CCCN(CC=CCN)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine?
The InChIKey is XGCBBLNVKFEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-6-5-9-13(11(10)2)8-4-3-7-12/h3-4,10-11H,5-9,12H2,1-2H3.
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine?
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 77110314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).