2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol

C14H30N2O2 — CID 62390793

IUPAC2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
SMILESCN(CCO)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C14H30N2O2/c1-13(2,3)15-11-14(5-9-18-10-6-14)12-16(4)7-8-17/h15,17H,5-12H2,1-4H3
InChIKeyGQODTPVYNNGSLM-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.10
Rot. Bonds6

About 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol

2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol (PubChem CID 62390793) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
PubChem CID62390793
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
SMILESCN(CCO)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C14H30N2O2/c1-13(2,3)15-11-14(5-9-18-10-6-14)12-16(4)7-8-17/h15,17H,5-12H2,1-4H3
InChIKeyGQODTPVYNNGSLM-UHFFFAOYSA-N
XLogP1.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol 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

2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
CID 62392050
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
2-methyl-N-[[4-[[methyl(thiophen-3-ylmethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392863
2-[2-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]ethoxy]ethanol
CID 114243662
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol
CID 79377975
[4-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]oxan-4-yl]methanol
CID 105417449
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol (CID 62390793) is 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol is CN(CCO)CC1(CNC(C)(C)C)CCOCC1.
What is the InChIKey of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol?
The InChIKey is GQODTPVYNNGSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2,3)15-11-14(5-9-18-10-6-14)12-16(4)7-8-17/h15,17H,5-12H2,1-4H3.
What are the key properties of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol?
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol has a molecular weight of 258.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 62390793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).