2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C10H19NO — CID 65422034

IUPAC2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CC1(N)CC2CCC1O2
InChIInChI=1S/C10H19NO/c1-7(2)5-10(11)6-8-3-4-9(10)12-8/h7-9H,3-6,11H2,1-2H3
InChIKeyINUYXFGYYNUITD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds2

About 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 65422034) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID65422034
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC(C)CC1(N)CC2CCC1O2
InChIInChI=1S/C10H19NO/c1-7(2)5-10(11)6-8-3-4-9(10)12-8/h7-9H,3-6,11H2,1-2H3
InChIKeyINUYXFGYYNUITD-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419438
2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103142389
2-(3-ethylsulfonylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420745
2-[(3,3-difluorocyclohexyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 114225403
2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103184905
2-[(2,5-dimethylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65421171
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 102901926
2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103017721
2-cyclopentyl-1-(2-methylpropyl)cyclopropan-1-amine
CID 84658217
2,5-dimethyl-1-(2-methylpropyl)cyclohexan-1-amine
CID 64760776
2-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
CID 126997991
2-(3-phenoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65422682

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 65422034) is 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CC(C)CC1(N)CC2CCC1O2.
What is the InChIKey of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is INUYXFGYYNUITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)5-10(11)6-8-3-4-9(10)12-8/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65422034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).