(3R)-1-but-3-yn-2-ylpiperidin-3-amine

C9H16N2 — CID 102985169

IUPAC(3R)-1-but-3-yn-2-ylpiperidin-3-amine
SMILESC#CC(C)N1CCC[C@@H](N)C1
InChIInChI=1S/C9H16N2/c1-3-8(2)11-6-4-5-9(10)7-11/h1,8-9H,4-7,10H2,2H3/t8?,9-/m1/s1
InChIKeyCRDFSAPNXZYNMR-YGPZHTELSA-N
MW152.24 g/mol
LogP0.43
Rot. Bonds1

About (3R)-1-but-3-yn-2-ylpiperidin-3-amine

(3R)-1-but-3-yn-2-ylpiperidin-3-amine (PubChem CID 102985169) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R)-1-but-3-yn-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-but-3-yn-2-ylpiperidin-3-amine
PubChem CID102985169
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3R)-1-but-3-yn-2-ylpiperidin-3-amine
SMILESC#CC(C)N1CCC[C@@H](N)C1
InChIInChI=1S/C9H16N2/c1-3-8(2)11-6-4-5-9(10)7-11/h1,8-9H,4-7,10H2,2H3/t8?,9-/m1/s1
InChIKeyCRDFSAPNXZYNMR-YGPZHTELSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.43
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 (3R)-1-but-3-yn-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-1-but-3-yn-2-ylpiperidin-3-amine (CID 102985169) is (3R)-1-but-3-yn-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-but-3-yn-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-1-but-3-yn-2-ylpiperidin-3-amine is C#CC(C)N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-but-3-yn-2-ylpiperidin-3-amine?
The InChIKey is CRDFSAPNXZYNMR-YGPZHTELSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8(2)11-6-4-5-9(10)7-11/h1,8-9H,4-7,10H2,2H3/t8?,9-/m1/s1.
What are the key properties of (3R)-1-but-3-yn-2-ylpiperidin-3-amine?
(3R)-1-but-3-yn-2-ylpiperidin-3-amine has a molecular weight of 152.24 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-but-3-yn-2-ylpiperidin-3-amine is sourced from PubChem (CID 102985169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).