1-(but-2-ynylamino)-2-methylpropan-2-ol

C8H15NO — CID 65106731

IUPAC1-(but-2-ynylamino)-2-methylpropan-2-ol
SMILESCC#CCNCC(C)(C)O
InChIInChI=1S/C8H15NO/c1-4-5-6-9-7-8(2,3)10/h9-10H,6-7H2,1-3H3
InChIKeyLQXDKNZCQHYCDK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds3

About 1-(but-2-ynylamino)-2-methylpropan-2-ol

1-(but-2-ynylamino)-2-methylpropan-2-ol (PubChem CID 65106731) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(but-2-ynylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(but-2-ynylamino)-2-methylpropan-2-ol
PubChem CID65106731
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(but-2-ynylamino)-2-methylpropan-2-ol
SMILESCC#CCNCC(C)(C)O
InChIInChI=1S/C8H15NO/c1-4-5-6-9-7-8(2,3)10/h9-10H,6-7H2,1-3H3
InChIKeyLQXDKNZCQHYCDK-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(but-2-ynylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(but-2-ynylamino)-2-methylpropan-2-ol (CID 65106731) is 1-(but-2-ynylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(but-2-ynylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(but-2-ynylamino)-2-methylpropan-2-ol is CC#CCNCC(C)(C)O.
What is the InChIKey of 1-(but-2-ynylamino)-2-methylpropan-2-ol?
The InChIKey is LQXDKNZCQHYCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-9-7-8(2,3)10/h9-10H,6-7H2,1-3H3.
What are the key properties of 1-(but-2-ynylamino)-2-methylpropan-2-ol?
1-(but-2-ynylamino)-2-methylpropan-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-2-ynylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 65106731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).