3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol

C13H21NO — CID 137482117

IUPAC3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol
SMILESCC#CC(C)(C)NC(C)C(C)(O)C#CC
InChIInChI=1S/C13H21NO/c1-7-9-12(4,5)14-11(3)13(6,15)10-8-2/h11,14-15H,1-6H3
InChIKeyZQPUKBQGBWMANN-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.54
Rot. Bonds3

About 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol

3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol (PubChem CID 137482117) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol.

Molecular Properties

Compound Name3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol
PubChem CID137482117
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol
SMILESCC#CC(C)(C)NC(C)C(C)(O)C#CC
InChIInChI=1S/C13H21NO/c1-7-9-12(4,5)14-11(3)13(6,15)10-8-2/h11,14-15H,1-6H3
InChIKeyZQPUKBQGBWMANN-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.54
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 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol?
The IUPAC name of 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol (CID 137482117) is 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol.
What is the SMILES notation for 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol?
The canonical SMILES for 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol is CC#CC(C)(C)NC(C)C(C)(O)C#CC.
What is the InChIKey of 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol?
The InChIKey is ZQPUKBQGBWMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-7-9-12(4,5)14-11(3)13(6,15)10-8-2/h11,14-15H,1-6H3.
What are the key properties of 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol?
3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol has a molecular weight of 207.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpent-3-yn-2-ylamino)hex-4-yn-3-ol is sourced from PubChem (CID 137482117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).