(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol

C11H21NO2 — CID 103922179

IUPAC(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1C2CCOC2C1(C)C
InChIInChI=1S/C11H21NO2/c1-7(13)6-12-9-8-4-5-14-10(8)11(9,2)3/h7-10,12-13H,4-6H2,1-3H3/t7-,8?,9?,10?/m1/s1
InChIKeyQSHLHYVQTLBJSR-QVNBGCGHSA-N
MW199.29 g/mol
LogP0.77
Rot. Bonds3

About (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol

(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol (PubChem CID 103922179) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
PubChem CID103922179
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1C2CCOC2C1(C)C
InChIInChI=1S/C11H21NO2/c1-7(13)6-12-9-8-4-5-14-10(8)11(9,2)3/h7-10,12-13H,4-6H2,1-3H3/t7-,8?,9?,10?/m1/s1
InChIKeyQSHLHYVQTLBJSR-QVNBGCGHSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol with MolForge

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Related Compounds

1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-4-methylpentan-2-ol
CID 103921148
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-1-ol
CID 65034487
N-(3-methoxy-2-methylpropyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862954
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N',N'-dimethylethane-1,2-diamine
CID 64871843
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
CID 103921775
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
CID 113352258
N-(2-ethylhexyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64870264
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
(1S,5S)-N-(2-bromoprop-2-enyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 130646138

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol (CID 103922179) is (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol is C[C@@H](O)CNC1C2CCOC2C1(C)C.
What is the InChIKey of (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol?
The InChIKey is QSHLHYVQTLBJSR-QVNBGCGHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(13)6-12-9-8-4-5-14-10(8)11(9,2)3/h7-10,12-13H,4-6H2,1-3H3/t7-,8?,9?,10?/m1/s1.
What are the key properties of (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol?
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol has a molecular weight of 199.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol is sourced from PubChem (CID 103922179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).