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

C9H17NO — CID 64549963

IUPAC2-(but-2-ynylamino)-2-methylbutan-1-ol
SMILESCC#CCNC(C)(CC)CO
InChIInChI=1S/C9H17NO/c1-4-6-7-10-9(3,5-2)8-11/h10-11H,5,7-8H2,1-3H3
InChIKeyDGUPKEXPUWCERU-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds4

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

2-(but-2-ynylamino)-2-methylbutan-1-ol (PubChem CID 64549963) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(but-2-ynylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(but-2-ynylamino)-2-methylbutan-1-ol
PubChem CID64549963
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(but-2-ynylamino)-2-methylbutan-1-ol
SMILESCC#CCNC(C)(CC)CO
InChIInChI=1S/C9H17NO/c1-4-6-7-10-9(3,5-2)8-11/h10-11H,5,7-8H2,1-3H3
InChIKeyDGUPKEXPUWCERU-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-methyl-2-(3-phenylprop-2-ynylamino)butan-1-ol
CID 64549964
2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64548728
4-[(1-hydroxy-2-methylbutan-2-yl)amino]butanenitrile
CID 64549136
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
3-[(1-hydroxy-2-methylbutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 79624482
2,2-dimethyl-3-(3-methylpentan-3-ylamino)propan-1-ol
CID 106328180
2-methyl-2-(prop-2-ynylamino)propane-1,3-diol
CID 79810865
2,2-difluoro-3-[(1-hydroxy-2-methylbutan-2-yl)amino]propanoic acid
CID 165465852
2-[(2-ethyl-2-hydroxybutyl)amino]-2-methylpropane-1,3-diol
CID 114493468
2-methyl-2-(pentan-3-ylamino)butan-1-ol
CID 78996542

Frequently Asked Questions

What is the IUPAC name of 2-(but-2-ynylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(but-2-ynylamino)-2-methylbutan-1-ol (CID 64549963) is 2-(but-2-ynylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(but-2-ynylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(but-2-ynylamino)-2-methylbutan-1-ol is CC#CCNC(C)(CC)CO.
What is the InChIKey of 2-(but-2-ynylamino)-2-methylbutan-1-ol?
The InChIKey is DGUPKEXPUWCERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-7-10-9(3,5-2)8-11/h10-11H,5,7-8H2,1-3H3.
What are the key properties of 2-(but-2-ynylamino)-2-methylbutan-1-ol?
2-(but-2-ynylamino)-2-methylbutan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-2-ynylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64549963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).