2-methyl-1-(methylamino)hex-5-yn-2-ol

C8H15NO — CID 66038408

IUPAC2-methyl-1-(methylamino)hex-5-yn-2-ol
SMILESC#CCCC(C)(O)CNC
InChIInChI=1S/C8H15NO/c1-4-5-6-8(2,10)7-9-3/h1,9-10H,5-7H2,2-3H3
InChIKeyXYXFIDKDCGTXJA-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds4

About 2-methyl-1-(methylamino)hex-5-yn-2-ol

2-methyl-1-(methylamino)hex-5-yn-2-ol (PubChem CID 66038408) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)hex-5-yn-2-ol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)hex-5-yn-2-ol
PubChem CID66038408
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1-(methylamino)hex-5-yn-2-ol
SMILESC#CCCC(C)(O)CNC
InChIInChI=1S/C8H15NO/c1-4-5-6-8(2,10)7-9-3/h1,9-10H,5-7H2,2-3H3
InChIKeyXYXFIDKDCGTXJA-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)hex-5-yn-2-ol?
The IUPAC name of 2-methyl-1-(methylamino)hex-5-yn-2-ol (CID 66038408) is 2-methyl-1-(methylamino)hex-5-yn-2-ol.
What is the SMILES notation for 2-methyl-1-(methylamino)hex-5-yn-2-ol?
The canonical SMILES for 2-methyl-1-(methylamino)hex-5-yn-2-ol is C#CCCC(C)(O)CNC.
What is the InChIKey of 2-methyl-1-(methylamino)hex-5-yn-2-ol?
The InChIKey is XYXFIDKDCGTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-6-8(2,10)7-9-3/h1,9-10H,5-7H2,2-3H3.
What are the key properties of 2-methyl-1-(methylamino)hex-5-yn-2-ol?
2-methyl-1-(methylamino)hex-5-yn-2-ol has a molecular weight of 141.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)hex-5-yn-2-ol is sourced from PubChem (CID 66038408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).