1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine

C11H22N2 — CID 103605382

IUPAC1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)4-7-12-11-5-8-13(3)9-6-11/h4,11-12H,5-9H2,1-3H3
InChIKeyZXWSQYISFKWLBN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.64
Rot. Bonds3

About 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine

1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 103605382) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID103605382
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-10(2)4-7-12-11-5-8-13(3)9-6-11/h4,11-12H,5-9H2,1-3H3
InChIKeyZXWSQYISFKWLBN-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-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 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine (CID 103605382) is 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCNC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is ZXWSQYISFKWLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)4-7-12-11-5-8-13(3)9-6-11/h4,11-12H,5-9H2,1-3H3.
What are the key properties of 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine?
1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 182.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 103605382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).