4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol

C8H19NO3 — CID 165443184

IUPAC4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
SMILESCOCC(O)(COC)C(C)CN
InChIInChI=1S/C8H19NO3/c1-7(4-9)8(10,5-11-2)6-12-3/h7,10H,4-6,9H2,1-3H3
InChIKeyPCQXMJKWGZHAOT-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.39
Rot. Bonds6

About 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol

4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol (PubChem CID 165443184) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
PubChem CID165443184
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
SMILESCOCC(O)(COC)C(C)CN
InChIInChI=1S/C8H19NO3/c1-7(4-9)8(10,5-11-2)6-12-3/h7,10H,4-6,9H2,1-3H3
InChIKeyPCQXMJKWGZHAOT-UHFFFAOYSA-N
XLogP-0.39
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol?
The IUPAC name of 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol (CID 165443184) is 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol.
What is the SMILES notation for 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol?
The canonical SMILES for 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol is COCC(O)(COC)C(C)CN.
What is the InChIKey of 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol?
The InChIKey is PCQXMJKWGZHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c1-7(4-9)8(10,5-11-2)6-12-3/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol?
4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol has a molecular weight of 177.24 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol is sourced from PubChem (CID 165443184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).