1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol

C9H21NO2 — CID 103033143

IUPAC1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol
SMILESCOC(C)(C)CCNCC(C)O
InChIInChI=1S/C9H21NO2/c1-8(11)7-10-6-5-9(2,3)12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyQSOJZBAOENUCJH-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds6

About 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol

1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol (PubChem CID 103033143) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol
PubChem CID103033143
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol
SMILESCOC(C)(C)CCNCC(C)O
InChIInChI=1S/C9H21NO2/c1-8(11)7-10-6-5-9(2,3)12-4/h8,10-11H,5-7H2,1-4H3
InChIKeyQSOJZBAOENUCJH-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
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 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol (CID 103033143) is 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol is COC(C)(C)CCNCC(C)O.
What is the InChIKey of 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol?
The InChIKey is QSOJZBAOENUCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(11)7-10-6-5-9(2,3)12-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol?
1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-3-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 103033143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).