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

C7H13N — CID 58679839

IUPAC(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyLLAMAEIOZLEXMF-RQJHMYQMSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

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

(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 58679839) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID58679839
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCN1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyLLAMAEIOZLEXMF-RQJHMYQMSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane (CID 58679839) is (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane is CN1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is LLAMAEIOZLEXMF-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13N/c1-8-5-6-2-3-7(8)4-6/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane?
(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 58679839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).