(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol

C7H13NO — CID 15669541

IUPAC(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESCN1C[C@H]2C[C@@H]1[C@@H](O)C2
InChIInChI=1S/C7H13NO/c1-8-4-5-2-6(8)7(9)3-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyWKJFDPXAPYOJIV-XVMARJQXSA-N
MW127.19 g/mol
LogP0.07
Rot. Bonds

About (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol

(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol (PubChem CID 15669541) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol.

Molecular Properties

Compound Name(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
PubChem CID15669541
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
SMILESCN1C[C@H]2C[C@@H]1[C@@H](O)C2
InChIInChI=1S/C7H13NO/c1-8-4-5-2-6(8)7(9)3-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyWKJFDPXAPYOJIV-XVMARJQXSA-N
XLogP0.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The IUPAC name of (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol (CID 15669541) is (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol.
What is the SMILES notation for (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The canonical SMILES for (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol is CN1C[C@H]2C[C@@H]1[C@@H](O)C2.
What is the InChIKey of (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
The InChIKey is WKJFDPXAPYOJIV-XVMARJQXSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-5-2-6(8)7(9)3-5/h5-7,9H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol?
(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol has a molecular weight of 127.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol is sourced from PubChem (CID 15669541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).