4-(1-methylpiperidin-3-yl)but-2-yn-1-amine

C10H18N2 — CID 117265147

IUPAC4-(1-methylpiperidin-3-yl)but-2-yn-1-amine
SMILESCN1CCCC(CC#CCN)C1
InChIInChI=1S/C10H18N2/c1-12-8-4-6-10(9-12)5-2-3-7-11/h10H,4-9,11H2,1H3
InChIKeyNWTJYAUIJDMJGG-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.68
Rot. Bonds1

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

4-(1-methylpiperidin-3-yl)but-2-yn-1-amine (PubChem CID 117265147) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)but-2-yn-1-amine
PubChem CID117265147
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-(1-methylpiperidin-3-yl)but-2-yn-1-amine
SMILESCN1CCCC(CC#CCN)C1
InChIInChI=1S/C10H18N2/c1-12-8-4-6-10(9-12)5-2-3-7-11/h10H,4-9,11H2,1H3
InChIKeyNWTJYAUIJDMJGG-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine?
The IUPAC name of 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine (CID 117265147) is 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine is CN1CCCC(CC#CCN)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine?
The InChIKey is NWTJYAUIJDMJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12-8-4-6-10(9-12)5-2-3-7-11/h10H,4-9,11H2,1H3.
What are the key properties of 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine?
4-(1-methylpiperidin-3-yl)but-2-yn-1-amine has a molecular weight of 166.27 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)but-2-yn-1-amine is sourced from PubChem (CID 117265147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).