2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol

C10H23NO2 — CID 114493472

IUPAC2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol
SMILESCC(C)CONCC(C)(O)C(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)6-13-11-7-10(5,12)9(3)4/h8-9,11-12H,6-7H2,1-5H3
InChIKeyHJMXWRBAHZEDTC-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.57
Rot. Bonds6

About 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol

2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol (PubChem CID 114493472) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol
PubChem CID114493472
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol
SMILESCC(C)CONCC(C)(O)C(C)C
InChIInChI=1S/C10H23NO2/c1-8(2)6-13-11-7-10(5,12)9(3)4/h8-9,11-12H,6-7H2,1-5H3
InChIKeyHJMXWRBAHZEDTC-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.57
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 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol (CID 114493472) is 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol is CC(C)CONCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol?
The InChIKey is HJMXWRBAHZEDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)6-13-11-7-10(5,12)9(3)4/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol?
2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylpropoxyamino)butan-2-ol is sourced from PubChem (CID 114493472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).