(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol

C12H23NO2 — CID 103921775

IUPAC(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
SMILESC[C@H](CCO)NC1C2CCOC2C1(C)C
InChIInChI=1S/C12H23NO2/c1-8(4-6-14)13-10-9-5-7-15-11(9)12(10,2)3/h8-11,13-14H,4-7H2,1-3H3/t8-,9?,10?,11?/m1/s1
InChIKeyCSZRVCJQXWCWNR-XUHYKBHQSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds4

About (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol

(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol (PubChem CID 103921775) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
PubChem CID103921775
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol
SMILESC[C@H](CCO)NC1C2CCOC2C1(C)C
InChIInChI=1S/C12H23NO2/c1-8(4-6-14)13-10-9-5-7-15-11(9)12(10,2)3/h8-11,13-14H,4-7H2,1-3H3/t8-,9?,10?,11?/m1/s1
InChIKeyCSZRVCJQXWCWNR-XUHYKBHQSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol with MolForge

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Related Compounds

2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-1-ol
CID 64864462
N-hexan-2-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863914
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906316
7,7-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864093
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpropan-1-ol
CID 65034487
7,7-dimethyl-N-(1-phenylpropan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863919
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506932
(2R)-1-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propan-2-ol
CID 103922179
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-2-methylpentan-1-ol
CID 113352258
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-3-methoxypropan-1-ol
CID 106187432
2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-N,N-diethylpropanamide
CID 64863898

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol?
The IUPAC name of (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol (CID 103921775) is (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol?
The canonical SMILES for (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol is C[C@H](CCO)NC1C2CCOC2C1(C)C.
What is the InChIKey of (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol?
The InChIKey is CSZRVCJQXWCWNR-XUHYKBHQSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(4-6-14)13-10-9-5-7-15-11(9)12(10,2)3/h8-11,13-14H,4-7H2,1-3H3/t8-,9?,10?,11?/m1/s1.
What are the key properties of (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol?
(3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]butan-1-ol is sourced from PubChem (CID 103921775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).