(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne

C11H17N — CID 177326719

IUPAC(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne
SMILESCC(C)C1C[C@H]2C#C[C@@H](C1)N2C
InChIInChI=1S/C11H17N/c1-8(2)9-6-10-4-5-11(7-9)12(10)3/h8-11H,6-7H2,1-3H3/t9?,10-,11+
InChIKeyAHMVAJJKLSTRLE-FGWVZKOKSA-N
MW163.26 g/mol
LogP1.74
Rot. Bonds1

About (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne

(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne (PubChem CID 177326719) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne.

Molecular Properties

Compound Name(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne
PubChem CID177326719
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne
SMILESCC(C)C1C[C@H]2C#C[C@@H](C1)N2C
InChIInChI=1S/C11H17N/c1-8(2)9-6-10-4-5-11(7-9)12(10)3/h8-11H,6-7H2,1-3H3/t9?,10-,11+
InChIKeyAHMVAJJKLSTRLE-FGWVZKOKSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
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 (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne?
The IUPAC name of (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne (CID 177326719) is (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne.
What is the SMILES notation for (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne?
The canonical SMILES for (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne is CC(C)C1C[C@H]2C#C[C@@H](C1)N2C.
What is the InChIKey of (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne?
The InChIKey is AHMVAJJKLSTRLE-FGWVZKOKSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)9-6-10-4-5-11(7-9)12(10)3/h8-11H,6-7H2,1-3H3/t9?,10-,11+.
What are the key properties of (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne?
(1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne has a molecular weight of 163.26 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methyl-3-propan-2-yl-8-azabicyclo[3.2.1]oct-6-yne is sourced from PubChem (CID 177326719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).