1-(tert-butylamino)-2-methylbut-3-yn-2-ol

C9H17NO — CID 13227895

IUPAC1-(tert-butylamino)-2-methylbut-3-yn-2-ol
SMILESC#CC(C)(O)CNC(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-9(5,11)7-10-8(2,3)4/h1,10-11H,7H2,2-5H3
InChIKeyFDZAFNHDUMOOSN-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds2

About 1-(tert-butylamino)-2-methylbut-3-yn-2-ol

1-(tert-butylamino)-2-methylbut-3-yn-2-ol (PubChem CID 13227895) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-methylbut-3-yn-2-ol
PubChem CID13227895
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(tert-butylamino)-2-methylbut-3-yn-2-ol
SMILESC#CC(C)(O)CNC(C)(C)C
InChIInChI=1S/C9H17NO/c1-6-9(5,11)7-10-8(2,3)4/h1,10-11H,7H2,2-5H3
InChIKeyFDZAFNHDUMOOSN-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-methylbut-3-yn-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-methylbut-3-yn-2-ol (CID 13227895) is 1-(tert-butylamino)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-methylbut-3-yn-2-ol is C#CC(C)(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-methylbut-3-yn-2-ol?
The InChIKey is FDZAFNHDUMOOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-9(5,11)7-10-8(2,3)4/h1,10-11H,7H2,2-5H3.
What are the key properties of 1-(tert-butylamino)-2-methylbut-3-yn-2-ol?
1-(tert-butylamino)-2-methylbut-3-yn-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 13227895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).