2-(4-aminobutoxymethyl)-2-methylbutan-1-ol

C10H23NO2 — CID 158131295

IUPAC2-(4-aminobutoxymethyl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)COCCCCN
InChIInChI=1S/C10H23NO2/c1-3-10(2,8-12)9-13-7-5-4-6-11/h12H,3-9,11H2,1-2H3
InChIKeyXNVWSGNXLDKSPZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.15
Rot. Bonds8

About 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol

2-(4-aminobutoxymethyl)-2-methylbutan-1-ol (PubChem CID 158131295) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(4-aminobutoxymethyl)-2-methylbutan-1-ol
PubChem CID158131295
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-(4-aminobutoxymethyl)-2-methylbutan-1-ol
SMILESCCC(C)(CO)COCCCCN
InChIInChI=1S/C10H23NO2/c1-3-10(2,8-12)9-13-7-5-4-6-11/h12H,3-9,11H2,1-2H3
InChIKeyXNVWSGNXLDKSPZ-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol?
The IUPAC name of 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol (CID 158131295) is 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol is CCC(C)(CO)COCCCCN.
What is the InChIKey of 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol?
The InChIKey is XNVWSGNXLDKSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-10(2,8-12)9-13-7-5-4-6-11/h12H,3-9,11H2,1-2H3.
What are the key properties of 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol?
2-(4-aminobutoxymethyl)-2-methylbutan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutoxymethyl)-2-methylbutan-1-ol is sourced from PubChem (CID 158131295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).