4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol

C11H25NO — CID 79355989

IUPAC4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol
SMILESCC(C)C(C)CNCCC(C)(C)O
InChIInChI=1S/C11H25NO/c1-9(2)10(3)8-12-7-6-11(4,5)13/h9-10,12-13H,6-8H2,1-5H3
InChIKeyJLYARGHTQICDRE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds6

About 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol

4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol (PubChem CID 79355989) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol
PubChem CID79355989
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol
SMILESCC(C)C(C)CNCCC(C)(C)O
InChIInChI=1S/C11H25NO/c1-9(2)10(3)8-12-7-6-11(4,5)13/h9-10,12-13H,6-8H2,1-5H3
InChIKeyJLYARGHTQICDRE-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol (CID 79355989) is 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol is CC(C)C(C)CNCCC(C)(C)O.
What is the InChIKey of 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol?
The InChIKey is JLYARGHTQICDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)10(3)8-12-7-6-11(4,5)13/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol?
4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79355989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).