(1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C14H25NO2 — CID 155793825

IUPAC(1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)OCC1(CN2C[C@H]3C[C@@H]2CO3)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-10-14(4-5-14)9-15-7-12-6-11(15)8-16-12/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyYAWOVWAMJFKUIG-VXGBXAGGSA-N
MW239.36 g/mol
LogP2.05
Rot. Bonds4

About (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 155793825) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID155793825
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCC(C)(C)OCC1(CN2C[C@H]3C[C@@H]2CO3)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)17-10-14(4-5-14)9-15-7-12-6-11(15)8-16-12/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1
InChIKeyYAWOVWAMJFKUIG-VXGBXAGGSA-N
XLogP2.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 155793825) is (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is CC(C)(C)OCC1(CN2C[C@H]3C[C@@H]2CO3)CC1.
What is the InChIKey of (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YAWOVWAMJFKUIG-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)17-10-14(4-5-14)9-15-7-12-6-11(15)8-16-12/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 239.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 155793825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).