(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

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Related Compounds

3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 118940547
(1R,4S,6R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol
CID 167773166
(1R,4S,6R)-2-(2,2-difluoroethyl)-2-azabicyclo[2.2.1]heptan-6-ol
CID 167864082
Pohwnwnqhkdwjn-csmhccousa-
CID 12063323
2-Methyl-2-azabicyclo[2.2.1]heptan-7-ol
CID 20583540
2-Azabicyclo[2.2.1]heptan-6-ol
CID 21963760
2-Azabicyclo[2.2.1]heptan-6-ol hydrochloride
CID 23294138
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-hydroxy-, methyl ester
CID 45122926
Rac-(1r,4s,6r)-2-azabicyclo[2.2.1]heptan-6-ol
CID 53662182
methyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 54081152
(1R,4S,6S)-2-Azabicyclo[2.2.1]heptan-6-ol
CID 55303617
6-Methoxy-2-methyl-2-azabicyclo[2.2.1]heptane
CID 57979637

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).