6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol

C9H13NO — CID 134893912

IUPAC6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol
SMILESCCNC#CC#CC(C)(C)O
InChIInChI=1S/C9H13NO/c1-4-10-8-6-5-7-9(2,3)11/h10-11H,4H2,1-3H3
InChIKeyUWPNPYYNALVEAX-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.33
Rot. Bonds1

About 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol

6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol (PubChem CID 134893912) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol.

Molecular Properties

Compound Name6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol
PubChem CID134893912
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol
SMILESCCNC#CC#CC(C)(C)O
InChIInChI=1S/C9H13NO/c1-4-10-8-6-5-7-9(2,3)11/h10-11H,4H2,1-3H3
InChIKeyUWPNPYYNALVEAX-UHFFFAOYSA-N
XLogP0.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol?
The IUPAC name of 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol (CID 134893912) is 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol.
What is the SMILES notation for 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol?
The canonical SMILES for 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol is CCNC#CC#CC(C)(C)O.
What is the InChIKey of 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol?
The InChIKey is UWPNPYYNALVEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-10-8-6-5-7-9(2,3)11/h10-11H,4H2,1-3H3.
What are the key properties of 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol?
6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol has a molecular weight of 151.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-methylhexa-3,5-diyn-2-ol is sourced from PubChem (CID 134893912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).