(1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane

C9H17N — CID 166909521

IUPAC(1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane
SMILESCC1C[C@]2(C)CC[C@@]1(C)N2
InChIInChI=1S/C9H17N/c1-7-6-8(2)4-5-9(7,3)10-8/h7,10H,4-6H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyGIYNTMLKJLUXPS-SXNZSPLWSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds

About (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane

(1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane (PubChem CID 166909521) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane
PubChem CID166909521
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane
SMILESCC1C[C@]2(C)CC[C@@]1(C)N2
InChIInChI=1S/C9H17N/c1-7-6-8(2)4-5-9(7,3)10-8/h7,10H,4-6H2,1-3H3/t7?,8-,9+/m0/s1
InChIKeyGIYNTMLKJLUXPS-SXNZSPLWSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane (CID 166909521) is (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane is CC1C[C@]2(C)CC[C@@]1(C)N2.
What is the InChIKey of (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane?
The InChIKey is GIYNTMLKJLUXPS-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H17N/c1-7-6-8(2)4-5-9(7,3)10-8/h7,10H,4-6H2,1-3H3/t7?,8-,9+/m0/s1.
What are the key properties of (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane?
(1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,2,4-trimethyl-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 166909521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).