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

C16H34N2O2 — CID 62392050

IUPAC2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C16H34N2O2/c1-14(2)18(8-9-19)13-16(6-10-20-11-7-16)12-17-15(3,4)5/h14,17,19H,6-13H2,1-5H3
InChIKeySDIPKMIAMFRDQF-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.87
Rot. Bonds7

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

2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 62392050) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
PubChem CID62392050
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CC1(CNC(C)(C)C)CCOCC1
InChIInChI=1S/C16H34N2O2/c1-14(2)18(8-9-19)13-16(6-10-20-11-7-16)12-17-15(3,4)5/h14,17,19H,6-13H2,1-5H3
InChIKeySDIPKMIAMFRDQF-UHFFFAOYSA-N
XLogP1.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol with MolForge

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Related Compounds

2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
CID 62390793
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62271713
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
N-[[1-[[2-methoxyethyl(propan-2-yl)amino]methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 82941124
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
2-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl-pentan-3-ylamino]ethanol
CID 62392902
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol (CID 62392050) is 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CC1(CNC(C)(C)C)CCOCC1.
What is the InChIKey of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is SDIPKMIAMFRDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-14(2)18(8-9-19)13-16(6-10-20-11-7-16)12-17-15(3,4)5/h14,17,19H,6-13H2,1-5H3.
What are the key properties of 2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol?
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 286.46 g/mol, XLogP of 1.87, 7 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-propan-2-ylamino]ethanol is sourced from PubChem (CID 62392050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).