[2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

C12H23NO — CID 65394268

IUPAC[2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCC(C)CCC1(CN)CC2CCC1O2
InChIInChI=1S/C12H23NO/c1-9(2)5-6-12(8-13)7-10-3-4-11(12)14-10/h9-11H,3-8,13H2,1-2H3
InChIKeyOUYGHHUBEDOMLM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds4

About [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine

[2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (PubChem CID 65394268) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
PubChem CID65394268
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
SMILESCC(C)CCC1(CN)CC2CCC1O2
InChIInChI=1S/C12H23NO/c1-9(2)5-6-12(8-13)7-10-3-4-11(12)14-10/h9-11H,3-8,13H2,1-2H3
InChIKeyOUYGHHUBEDOMLM-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The IUPAC name of [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine (CID 65394268) is [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine.
What is the SMILES notation for [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The canonical SMILES for [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is CC(C)CCC1(CN)CC2CCC1O2.
What is the InChIKey of [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
The InChIKey is OUYGHHUBEDOMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)5-6-12(8-13)7-10-3-4-11(12)14-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine?
[2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine is sourced from PubChem (CID 65394268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).