(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane

C9H17N — CID 11400818

IUPAC(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane
SMILESC[C@H]1CC2(C)C[C@H](C)N1C2
InChIInChI=1S/C9H17N/c1-7-4-9(3)5-8(2)10(7)6-9/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyYQZAULUECVSREH-YUMQZZPRSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds

About (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane

(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane (PubChem CID 11400818) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane
PubChem CID11400818
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane
SMILESC[C@H]1CC2(C)C[C@H](C)N1C2
InChIInChI=1S/C9H17N/c1-7-4-9(3)5-8(2)10(7)6-9/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyYQZAULUECVSREH-YUMQZZPRSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane (CID 11400818) is (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane is C[C@H]1CC2(C)C[C@H](C)N1C2.
What is the InChIKey of (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane?
The InChIKey is YQZAULUECVSREH-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17N/c1-7-4-9(3)5-8(2)10(7)6-9/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane?
(2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,4,6-trimethyl-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 11400818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).