4-(2,2-dimethylmorpholin-4-yl)butan-1-ol

C10H21NO2 — CID 43593140

IUPAC4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
SMILESCC1(C)CN(CCCCO)CCO1
InChIInChI=1S/C10H21NO2/c1-10(2)9-11(6-8-13-10)5-3-4-7-12/h12H,3-9H2,1-2H3
InChIKeyVBZFHNPWEJODQB-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds4

About 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol

4-(2,2-dimethylmorpholin-4-yl)butan-1-ol (PubChem CID 43593140) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
PubChem CID43593140
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
SMILESCC1(C)CN(CCCCO)CCO1
InChIInChI=1S/C10H21NO2/c1-10(2)9-11(6-8-13-10)5-3-4-7-12/h12H,3-9H2,1-2H3
InChIKeyVBZFHNPWEJODQB-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylmorpholin-4-yl)butan-1-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

3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;yttrium
CID 162684002
4-(2,2-dimethylmorpholin-4-yl)butan-1-amine
CID 43592480
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
2-amino-6-(2,2-dimethylmorpholin-4-yl)-2-methylhexan-1-ol
CID 64798764
4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102745117
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64798555
4-[3-(2,2-dimethylmorpholin-4-yl)propyl]aniline
CID 115341786
4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592997
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol (CID 43593140) is 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol is CC1(C)CN(CCCCO)CCO1.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol?
The InChIKey is VBZFHNPWEJODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2)9-11(6-8-13-10)5-3-4-7-12/h12H,3-9H2,1-2H3.
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol?
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)butan-1-ol is sourced from PubChem (CID 43593140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).