(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol

C13H25NO — CID 103906690

IUPAC(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol
SMILESC[C@@H](O)CNC1[C@@H]2CCCC[C@@H]2C1(C)C
InChIInChI=1S/C13H25NO/c1-9(15)8-14-12-10-6-4-5-7-11(10)13(12,2)3/h9-12,14-15H,4-8H2,1-3H3/t9-,10-,11+,12?/m1/s1
InChIKeySDSLKWSBBQYYEQ-YIBTVLSRSA-N
MW211.35 g/mol
LogP2.17
Rot. Bonds3

About (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol

(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol (PubChem CID 103906690) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol
PubChem CID103906690
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol
SMILESC[C@@H](O)CNC1[C@@H]2CCCC[C@@H]2C1(C)C
InChIInChI=1S/C13H25NO/c1-9(15)8-14-12-10-6-4-5-7-11(10)13(12,2)3/h9-12,14-15H,4-8H2,1-3H3/t9-,10-,11+,12?/m1/s1
InChIKeySDSLKWSBBQYYEQ-YIBTVLSRSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol with MolForge

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Related Compounds

N-ethyl-9,9-dimethylbicyclo[5.2.0]nonan-8-amine
CID 81422931
2-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propane-1,3-diol
CID 103816162
14,14-dimethyl-N-propylbicyclo[10.2.0]tetradecan-13-amine
CID 81422701
(1S,6R)-N-(2-chloroprop-2-enyl)-8,8-dimethylbicyclo[4.2.0]octan-7-amine
CID 103902378
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
7,7-dimethyl-N-propylbicyclo[3.2.0]heptan-6-amine
CID 81422181
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol (CID 103906690) is (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol is C[C@@H](O)CNC1[C@@H]2CCCC[C@@H]2C1(C)C.
What is the InChIKey of (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol?
The InChIKey is SDSLKWSBBQYYEQ-YIBTVLSRSA-N. The full InChI is InChI=1S/C13H25NO/c1-9(15)8-14-12-10-6-4-5-7-11(10)13(12,2)3/h9-12,14-15H,4-8H2,1-3H3/t9-,10-,11+,12?/m1/s1.
What are the key properties of (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol?
(2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol has a molecular weight of 211.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1S,6R)-8,8-dimethyl-7-bicyclo[4.2.0]octanyl]amino]propan-2-ol is sourced from PubChem (CID 103906690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).