1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol

C16H34N2O2 — CID 79377988

IUPAC1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H34N2O2/c1-7-18(11-15(5,6)19)12-16(8-9-20-13-16)10-17-14(2,3)4/h17,19H,7-13H2,1-6H3
InChIKeyMREYPCBWKLIHFV-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.87
Rot. Bonds7

About 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol

1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol (PubChem CID 79377988) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
PubChem CID79377988
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C16H34N2O2/c1-7-18(11-15(5,6)19)12-16(8-9-20-13-16)10-17-14(2,3)4/h17,19H,7-13H2,1-6H3
InChIKeyMREYPCBWKLIHFV-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

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Related Compounds

1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
1-[ethyl-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]amino]-2-methylpropan-2-ol
CID 79379260
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62257485
N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62258163
2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
CID 102637085
1-[ethyl-[[1-(hydroxymethyl)cyclohexyl]methyl]amino]-2-methylpropan-2-ol
CID 79379007
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol (CID 79377988) is 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol?
The InChIKey is MREYPCBWKLIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-7-18(11-15(5,6)19)12-16(8-9-20-13-16)10-17-14(2,3)4/h17,19H,7-13H2,1-6H3.
What are the key properties of 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol?
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol 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 1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79377988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).