(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane

C12H17N — CID 163699419

IUPAC(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane
SMILESC#C[C@H]1C2(CC2)NC[C@@H](C)C12CC2
InChIInChI=1S/C12H17N/c1-3-10-11(4-5-11)9(2)8-13-12(10)6-7-12/h1,9-10,13H,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyJZRUBXOACUKFOP-NXEZZACHSA-N
MW175.28 g/mol
LogP1.79
Rot. Bonds

About (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane

(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane (PubChem CID 163699419) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane.

Molecular Properties

Compound Name(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane
PubChem CID163699419
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane
SMILESC#C[C@H]1C2(CC2)NC[C@@H](C)C12CC2
InChIInChI=1S/C12H17N/c1-3-10-11(4-5-11)9(2)8-13-12(10)6-7-12/h1,9-10,13H,4-8H2,2H3/t9-,10-/m1/s1
InChIKeyJZRUBXOACUKFOP-NXEZZACHSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane?
The IUPAC name of (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane (CID 163699419) is (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane.
What is the SMILES notation for (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane?
The canonical SMILES for (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane is C#C[C@H]1C2(CC2)NC[C@@H](C)C12CC2.
What is the InChIKey of (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane?
The InChIKey is JZRUBXOACUKFOP-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17N/c1-3-10-11(4-5-11)9(2)8-13-12(10)6-7-12/h1,9-10,13H,4-8H2,2H3/t9-,10-/m1/s1.
What are the key properties of (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane?
(4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane has a molecular weight of 175.28 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,10S)-4-ethynyl-10-methyl-8-azadispiro[2.1.25.33]decane is sourced from PubChem (CID 163699419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).