2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol

C15H27NO2 — CID 114750778

IUPAC2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
SMILESCC1(C)C(NCC2(CCO)CC2)C2CCCOC21
InChIInChI=1S/C15H27NO2/c1-14(2)12(11-4-3-9-18-13(11)14)16-10-15(5-6-15)7-8-17/h11-13,16-17H,3-10H2,1-2H3
InChIKeyIZNDYIMFSNVSDD-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol

2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol (PubChem CID 114750778) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
PubChem CID114750778
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
SMILESCC1(C)C(NCC2(CCO)CC2)C2CCCOC21
InChIInChI=1S/C15H27NO2/c1-14(2)12(11-4-3-9-18-13(11)14)16-10-15(5-6-15)7-8-17/h11-13,16-17H,3-10H2,1-2H3
InChIKeyIZNDYIMFSNVSDD-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol (CID 114750778) is 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol is CC1(C)C(NCC2(CCO)CC2)C2CCCOC21.
What is the InChIKey of 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol?
The InChIKey is IZNDYIMFSNVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2)12(11-4-3-9-18-13(11)14)16-10-15(5-6-15)7-8-17/h11-13,16-17H,3-10H2,1-2H3.
What are the key properties of 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol?
2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol has a molecular weight of 253.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).