4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol

C14H28N2O3 — CID 81130459

IUPAC4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol
SMILESCC(C)N1CCOC(CNCC2(O)CCOCC2)C1
InChIInChI=1S/C14H28N2O3/c1-12(2)16-5-8-19-13(10-16)9-15-11-14(17)3-6-18-7-4-14/h12-13,15,17H,3-11H2,1-2H3
InChIKeyYLPUWIDHBISXNK-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.23
Rot. Bonds5

About 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol

4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol (PubChem CID 81130459) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol
PubChem CID81130459
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol
SMILESCC(C)N1CCOC(CNCC2(O)CCOCC2)C1
InChIInChI=1S/C14H28N2O3/c1-12(2)16-5-8-19-13(10-16)9-15-11-14(17)3-6-18-7-4-14/h12-13,15,17H,3-11H2,1-2H3
InChIKeyYLPUWIDHBISXNK-UHFFFAOYSA-N
XLogP0.23
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-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

1-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65109049
2-methyl-3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxolan-3-ol
CID 106101133
2,2,2-trifluoro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64532686
3-chloro-N-[(4-propan-2-ylmorpholin-2-yl)methyl]butan-1-amine
CID 65024909
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
CID 64534343
2-N,2-N-dimethyl-1-N-[(4-propan-2-ylmorpholin-2-yl)methyl]propane-1,2-diamine
CID 64535121
4-[(4-propan-2-ylmorpholin-2-yl)methylamino]butanoic acid
CID 64534544
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106212449
2-cyclopentyl-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64535316
2,3-dimethyl-3-[(4-propan-2-ylmorpholin-2-yl)methylamino]butan-2-ol
CID 106189997
N-[(4-propan-2-ylmorpholin-2-yl)methyl]hexan-3-amine
CID 64532904

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol (CID 81130459) is 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol is CC(C)N1CCOC(CNCC2(O)CCOCC2)C1.
What is the InChIKey of 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is YLPUWIDHBISXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(2)16-5-8-19-13(10-16)9-15-11-14(17)3-6-18-7-4-14/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol?
4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 272.39 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).