2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol

C10H15NO — CID 134893990

IUPAC2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol
SMILESCCCNC#CC#CC(C)(C)O
InChIInChI=1S/C10H15NO/c1-4-8-11-9-6-5-7-10(2,3)12/h11-12H,4,8H2,1-3H3
InChIKeyKEZKXWXLKZPCPT-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.72
Rot. Bonds2

About 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol

2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol (PubChem CID 134893990) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol.

Molecular Properties

Compound Name2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol
PubChem CID134893990
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol
SMILESCCCNC#CC#CC(C)(C)O
InChIInChI=1S/C10H15NO/c1-4-8-11-9-6-5-7-10(2,3)12/h11-12H,4,8H2,1-3H3
InChIKeyKEZKXWXLKZPCPT-UHFFFAOYSA-N
XLogP0.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol?
The IUPAC name of 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol (CID 134893990) is 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol.
What is the SMILES notation for 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol?
The canonical SMILES for 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol is CCCNC#CC#CC(C)(C)O.
What is the InChIKey of 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol?
The InChIKey is KEZKXWXLKZPCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-11-9-6-5-7-10(2,3)12/h11-12H,4,8H2,1-3H3.
What are the key properties of 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol?
2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol has a molecular weight of 165.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(propylamino)hexa-3,5-diyn-2-ol is sourced from PubChem (CID 134893990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).