2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C12H21NO2 — CID 103142389

IUPAC2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC1CCC(CC2(N)CC3CCC2O3)O1
InChIInChI=1S/C12H21NO2/c1-8-2-3-9(14-8)6-12(13)7-10-4-5-11(12)15-10/h8-11H,2-7,13H2,1H3
InChIKeyZUSPSSDYCRHOJZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.59
Rot. Bonds2

About 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 103142389) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID103142389
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC1CCC(CC2(N)CC3CCC2O3)O1
InChIInChI=1S/C12H21NO2/c1-8-2-3-9(14-8)6-12(13)7-10-4-5-11(12)15-10/h8-11H,2-7,13H2,1H3
InChIKeyZUSPSSDYCRHOJZ-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,2,2-Trifluoroethoxy)propyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420299
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420524
2-(2-Propan-2-yloxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419437
2-(3-Methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419438
2-Octyl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419651
2-Propyl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420301
2-(3-Methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420520
2-[2-(2-Methoxyethoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420523
2-(2-Ethylhexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420525
2-Heptyl-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420741
2-(2-Methoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420952
2-(2-Ethoxyethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420954

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 103142389) is 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is CC1CCC(CC2(N)CC3CCC2O3)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZUSPSSDYCRHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8-2-3-9(14-8)6-12(13)7-10-4-5-11(12)15-10/h8-11H,2-7,13H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103142389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).