3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

C15H27NO — CID 174148896

IUPAC3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H](C)OCC1(CN2CC3CC3C2)CC1
InChIInChI=1S/C15H27NO/c1-11(2)12(3)17-10-15(4-5-15)9-16-7-13-6-14(13)8-16/h11-14H,4-10H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyFSXAPZGLITWJJY-IYXRBSQSSA-N
MW237.39 g/mol
LogP2.78
Rot. Bonds6

About 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 174148896) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID174148896
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)[C@@H](C)OCC1(CN2CC3CC3C2)CC1
InChIInChI=1S/C15H27NO/c1-11(2)12(3)17-10-15(4-5-15)9-16-7-13-6-14(13)8-16/h11-14H,4-10H2,1-3H3/t12-,13?,14?/m1/s1
InChIKeyFSXAPZGLITWJJY-IYXRBSQSSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (CID 174148896) is 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is CC(C)[C@@H](C)OCC1(CN2CC3CC3C2)CC1.
What is the InChIKey of 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is FSXAPZGLITWJJY-IYXRBSQSSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)12(3)17-10-15(4-5-15)9-16-7-13-6-14(13)8-16/h11-14H,4-10H2,1-3H3/t12-,13?,14?/m1/s1.
What are the key properties of 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 237.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 174148896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).