2-methyl-6-morpholin-4-ylhex-4-yn-3-ol

C11H19NO2 — CID 15356979

IUPAC2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCC(C)C(O)C#CCN1CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h10-11,13H,5-9H2,1-2H3
InChIKeyCMEQVNKHMRIPGG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.34
Rot. Bonds2

About 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol

2-methyl-6-morpholin-4-ylhex-4-yn-3-ol (PubChem CID 15356979) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
PubChem CID15356979
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
SMILESCC(C)C(O)C#CCN1CCOCC1
InChIInChI=1S/C11H19NO2/c1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h10-11,13H,5-9H2,1-2H3
InChIKeyCMEQVNKHMRIPGG-UHFFFAOYSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
CID 847500
CID 58998022
CID 58998022
4-(3-methylsulfanylprop-2-ynyl)morpholine
CID 153360046
ethane;4-ethylmorpholine;propan-2-ol
CID 172575881
(2-methyl-6-morpholin-4-yl-3-propan-2-ylhex-4-yn-3-yl) acetate
CID 685846
N,2-dimethylpropan-1-amine;ethane;3-morpholin-4-ylprop-1-yn-1-amine
CID 170584460
ethane;4-prop-2-ynylmorpholine
CID 144709407
N,N-dimethyl-6-morpholin-4-ylhexa-2,4-diyn-1-amine
CID 91621873
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
CID 2840553
1-[10-(2-hydroxypropyl)-7-propyl-1-oxa-4,7,10-triazacyclododec-4-yl]propan-2-ol
CID 142476457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
The IUPAC name of 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol (CID 15356979) is 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol.
What is the SMILES notation for 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
The canonical SMILES for 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol is CC(C)C(O)C#CCN1CCOCC1.
What is the InChIKey of 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
The InChIKey is CMEQVNKHMRIPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h10-11,13H,5-9H2,1-2H3.
What are the key properties of 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol?
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol has a molecular weight of 197.28 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-ylhex-4-yn-3-ol is sourced from PubChem (CID 15356979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).