[2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C11H21NO — CID 65393232

IUPAC[2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCC(C)CC1(CN)CC2CCC1O2
InChIInChI=1S/C11H21NO/c1-8(2)5-11(7-12)6-9-3-4-10(11)13-9/h8-10H,3-7,12H2,1-2H3
InChIKeyAXTBNYUCXLLRMZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds3

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

[2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65393232) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65393232
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCC(C)CC1(CN)CC2CCC1O2
InChIInChI=1S/C11H21NO/c1-8(2)5-11(7-12)6-9-3-4-10(11)13-9/h8-10H,3-7,12H2,1-2H3
InChIKeyAXTBNYUCXLLRMZ-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65393232) is [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is CC(C)CC1(CN)CC2CCC1O2.
What is the InChIKey of [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is AXTBNYUCXLLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)5-11(7-12)6-9-3-4-10(11)13-9/h8-10H,3-7,12H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-(2-methylpropyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 3 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-yl]methanamine is sourced from PubChem (CID 65393232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).