(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane

C9H15N — CID 89337063

IUPAC(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
SMILESC=C1CC2CC[C@@H](C1)N2C
InChIInChI=1S/C9H15N/c1-7-5-8-3-4-9(6-7)10(8)2/h8-9H,1,3-6H2,2H3/t8-,9?/m0/s1
InChIKeyVTTHRNBDRMKNKB-IENPIDJESA-N
MW137.23 g/mol
LogP1.80
Rot. Bonds

About (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane

(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane (PubChem CID 89337063) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
PubChem CID89337063
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
SMILESC=C1CC2CC[C@@H](C1)N2C
InChIInChI=1S/C9H15N/c1-7-5-8-3-4-9(6-7)10(8)2/h8-9H,1,3-6H2,2H3/t8-,9?/m0/s1
InChIKeyVTTHRNBDRMKNKB-IENPIDJESA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane (CID 89337063) is (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane is C=C1CC2CC[C@@H](C1)N2C.
What is the InChIKey of (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is VTTHRNBDRMKNKB-IENPIDJESA-N. The full InChI is InChI=1S/C9H15N/c1-7-5-8-3-4-9(6-7)10(8)2/h8-9H,1,3-6H2,2H3/t8-,9?/m0/s1.
What are the key properties of (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane?
(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 137.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 89337063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).