(5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane

C9H17N — CID 59101627

IUPAC(5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CN[C@@H](C2)C1
InChIInChI=1S/C9H17N/c1-9(2)4-7-3-8(5-9)10-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyLECZNJOGZQCLCE-MQWKRIRWSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds

About (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane

(5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 59101627) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane
PubChem CID59101627
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane
SMILESCC1(C)CC2CN[C@@H](C2)C1
InChIInChI=1S/C9H17N/c1-9(2)4-7-3-8(5-9)10-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyLECZNJOGZQCLCE-MQWKRIRWSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane (CID 59101627) is (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane is CC1(C)CC2CN[C@@H](C2)C1.
What is the InChIKey of (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is LECZNJOGZQCLCE-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2)4-7-3-8(5-9)10-6-7/h7-8,10H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane?
(5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 139.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,3-dimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 59101627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).