[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine

C8H15NO — CID 155893295

IUPAC[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
SMILESCOCC12CC(CN)(C1)C2
InChIInChI=1S/C8H15NO/c1-10-6-8-2-7(3-8,4-8)5-9/h2-6,9H2,1H3
InChIKeyPMEGRUVWSGIACE-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds3

About [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine

[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine (PubChem CID 155893295) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
PubChem CID155893295
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine
SMILESCOCC12CC(CN)(C1)C2
InChIInChI=1S/C8H15NO/c1-10-6-8-2-7(3-8,4-8)5-9/h2-6,9H2,1H3
InChIKeyPMEGRUVWSGIACE-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
The IUPAC name of [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine (CID 155893295) is [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
The canonical SMILES for [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine is COCC12CC(CN)(C1)C2.
What is the InChIKey of [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
The InChIKey is PMEGRUVWSGIACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-6-8-2-7(3-8,4-8)5-9/h2-6,9H2,1H3.
What are the key properties of [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine?
[3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-bicyclo[1.1.1]pentanyl]methanamine is sourced from PubChem (CID 155893295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).