2-(but-2-ynylamino)-3-methylbutan-1-ol

C9H17NO — CID 79249561

IUPAC2-(but-2-ynylamino)-3-methylbutan-1-ol
SMILESCC#CCNC(CO)C(C)C
InChIInChI=1S/C9H17NO/c1-4-5-6-10-9(7-11)8(2)3/h8-11H,6-7H2,1-3H3
InChIKeyDDNOLTRCCASASY-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.62
Rot. Bonds4

About 2-(but-2-ynylamino)-3-methylbutan-1-ol

2-(but-2-ynylamino)-3-methylbutan-1-ol (PubChem CID 79249561) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(but-2-ynylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(but-2-ynylamino)-3-methylbutan-1-ol
PubChem CID79249561
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(but-2-ynylamino)-3-methylbutan-1-ol
SMILESCC#CCNC(CO)C(C)C
InChIInChI=1S/C9H17NO/c1-4-5-6-10-9(7-11)8(2)3/h8-11H,6-7H2,1-3H3
InChIKeyDDNOLTRCCASASY-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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 2-(but-2-ynylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(but-2-ynylamino)-3-methylbutan-1-ol (CID 79249561) is 2-(but-2-ynylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(but-2-ynylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(but-2-ynylamino)-3-methylbutan-1-ol is CC#CCNC(CO)C(C)C.
What is the InChIKey of 2-(but-2-ynylamino)-3-methylbutan-1-ol?
The InChIKey is DDNOLTRCCASASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-10-9(7-11)8(2)3/h8-11H,6-7H2,1-3H3.
What are the key properties of 2-(but-2-ynylamino)-3-methylbutan-1-ol?
2-(but-2-ynylamino)-3-methylbutan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.62, 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)-3-methylbutan-1-ol is sourced from PubChem (CID 79249561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).