3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C15H27NO — CID 105052985

IUPAC3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CC3CC3C2)C(C)(C)O1
InChIInChI=1S/C15H27NO/c1-14(2)8-12(15(3,4)17-14)13(16)11-6-9-5-10(9)7-11/h9-13H,5-8,16H2,1-4H3
InChIKeyODHFKBAYFIGMHQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.95
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105052985) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105052985
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2CC3CC3C2)C(C)(C)O1
InChIInChI=1S/C15H27NO/c1-14(2)8-12(15(3,4)17-14)13(16)11-6-9-5-10(9)7-11/h9-13H,5-8,16H2,1-4H3
InChIKeyODHFKBAYFIGMHQ-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105052985) is 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)C2CC3CC3C2)C(C)(C)O1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is ODHFKBAYFIGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-14(2)8-12(15(3,4)17-14)13(16)11-6-9-5-10(9)7-11/h9-13H,5-8,16H2,1-4H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 237.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).