[4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride

C8H18ClNO2 — CID 86277235

IUPAC[4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride
SMILESCOCC1(CN)CCOCC1.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-10-7-8(6-9)2-4-11-5-3-8;/h2-7,9H2,1H3;1H
InChIKeyOMMJAKQCLBXQND-UHFFFAOYSA-N
MW195.69 g/mol
LogP0.81
Rot. Bonds3

About [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride

[4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride (PubChem CID 86277235) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride
PubChem CID86277235
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name[4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride
SMILESCOCC1(CN)CCOCC1.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-10-7-8(6-9)2-4-11-5-3-8;/h2-7,9H2,1H3;1H
InChIKeyOMMJAKQCLBXQND-UHFFFAOYSA-N
XLogP0.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride?
The IUPAC name of [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride (CID 86277235) is [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride is COCC1(CN)CCOCC1.Cl.
What is the InChIKey of [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride?
The InChIKey is OMMJAKQCLBXQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-10-7-8(6-9)2-4-11-5-3-8;/h2-7,9H2,1H3;1H.
What are the key properties of [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride?
[4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)oxan-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 86277235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).