4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol

C10H19NO — CID 146602581

IUPAC4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol
SMILESCC(C)(C#CO)CNC(C)(C)C
InChIInChI=1S/C10H19NO/c1-9(2,3)11-8-10(4,5)6-7-12/h11-12H,8H2,1-5H3
InChIKeyRHBFAWIXYLGMFQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds2

About 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol

4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol (PubChem CID 146602581) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol
PubChem CID146602581
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol
SMILESCC(C)(C#CO)CNC(C)(C)C
InChIInChI=1S/C10H19NO/c1-9(2,3)11-8-10(4,5)6-7-12/h11-12H,8H2,1-5H3
InChIKeyRHBFAWIXYLGMFQ-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
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 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol?
The IUPAC name of 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol (CID 146602581) is 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol.
What is the SMILES notation for 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol?
The canonical SMILES for 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol is CC(C)(C#CO)CNC(C)(C)C.
What is the InChIKey of 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol?
The InChIKey is RHBFAWIXYLGMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2,3)11-8-10(4,5)6-7-12/h11-12H,8H2,1-5H3.
What are the key properties of 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol?
4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-3,3-dimethylbut-1-yn-1-ol is sourced from PubChem (CID 146602581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).