(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine

C9H17NO — CID 138040345

IUPAC(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine
SMILESCC12CCC(CN)(CC1)OC2
InChIInChI=1S/C9H17NO/c1-8-2-4-9(6-10,5-3-8)11-7-8/h2-7,10H2,1H3
InChIKeySEPWKGDNATVKPF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.29
Rot. Bonds1

About (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine

(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine (PubChem CID 138040345) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine
PubChem CID138040345
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine
SMILESCC12CCC(CN)(CC1)OC2
InChIInChI=1S/C9H17NO/c1-8-2-4-9(6-10,5-3-8)11-7-8/h2-7,10H2,1H3
InChIKeySEPWKGDNATVKPF-UHFFFAOYSA-N
XLogP1.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine?
The IUPAC name of (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine (CID 138040345) is (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine.
What is the SMILES notation for (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine?
The canonical SMILES for (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine is CC12CCC(CN)(CC1)OC2.
What is the InChIKey of (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine?
The InChIKey is SEPWKGDNATVKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-2-4-9(6-10,5-3-8)11-7-8/h2-7,10H2,1H3.
What are the key properties of (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine?
(4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxabicyclo[2.2.2]octan-1-yl)methanamine is sourced from PubChem (CID 138040345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).