2-methyl-4-(2-methylpropoxyamino)butan-2-ol

C9H21NO2 — CID 82715733

IUPAC2-methyl-4-(2-methylpropoxyamino)butan-2-ol
SMILESCC(C)CONCCC(C)(C)O
InChIInChI=1S/C9H21NO2/c1-8(2)7-12-10-6-5-9(3,4)11/h8,10-11H,5-7H2,1-4H3
InChIKeyBYXNCTXGWYBPJY-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.32
Rot. Bonds6

About 2-methyl-4-(2-methylpropoxyamino)butan-2-ol

2-methyl-4-(2-methylpropoxyamino)butan-2-ol (PubChem CID 82715733) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropoxyamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropoxyamino)butan-2-ol
PubChem CID82715733
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-methyl-4-(2-methylpropoxyamino)butan-2-ol
SMILESCC(C)CONCCC(C)(C)O
InChIInChI=1S/C9H21NO2/c1-8(2)7-12-10-6-5-9(3,4)11/h8,10-11H,5-7H2,1-4H3
InChIKeyBYXNCTXGWYBPJY-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropoxyamino)butan-2-ol?
The IUPAC name of 2-methyl-4-(2-methylpropoxyamino)butan-2-ol (CID 82715733) is 2-methyl-4-(2-methylpropoxyamino)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2-methylpropoxyamino)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2-methylpropoxyamino)butan-2-ol is CC(C)CONCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-(2-methylpropoxyamino)butan-2-ol?
The InChIKey is BYXNCTXGWYBPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2)7-12-10-6-5-9(3,4)11/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methylpropoxyamino)butan-2-ol?
2-methyl-4-(2-methylpropoxyamino)butan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropoxyamino)butan-2-ol is sourced from PubChem (CID 82715733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).