3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine

C11H22N2 — CID 143670662

IUPAC3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine
SMILESC=C(C)C(N)CC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-9(2)11(12)8-10-4-6-13(3)7-5-10/h10-11H,1,4-8,12H2,2-3H3
InChIKeyJPWGPHNVVWPLPU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.62
Rot. Bonds3

About 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine

3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine (PubChem CID 143670662) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine
PubChem CID143670662
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine
SMILESC=C(C)C(N)CC1CCN(C)CC1
InChIInChI=1S/C11H22N2/c1-9(2)11(12)8-10-4-6-13(3)7-5-10/h10-11H,1,4-8,12H2,2-3H3
InChIKeyJPWGPHNVVWPLPU-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine (CID 143670662) is 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine is C=C(C)C(N)CC1CCN(C)CC1.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine?
The InChIKey is JPWGPHNVVWPLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)11(12)8-10-4-6-13(3)7-5-10/h10-11H,1,4-8,12H2,2-3H3.
What are the key properties of 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine?
3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-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 3-methyl-1-(1-methylpiperidin-4-yl)but-3-en-2-amine is sourced from PubChem (CID 143670662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).