2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol

C17H34N2O2 — CID 102637085

IUPAC2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
SMILESCN(CC1(CNC(C)(C)C)CCOC1)C1CCCCC1O
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-11-17(9-10-21-13-17)12-19(4)14-7-5-6-8-15(14)20/h14-15,18,20H,5-13H2,1-4H3
InChIKeyWZTLMIKBKFHPSK-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds5

About 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol

2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol (PubChem CID 102637085) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
PubChem CID102637085
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
SMILESCN(CC1(CNC(C)(C)C)CCOC1)C1CCCCC1O
InChIInChI=1S/C17H34N2O2/c1-16(2,3)18-11-17(9-10-21-13-17)12-19(4)14-7-5-6-8-15(14)20/h14-15,18,20H,5-13H2,1-4H3
InChIKeyWZTLMIKBKFHPSK-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(hydroxymethyl)oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol
CID 102637107
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62260390
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79377988
N-butyl-N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62258163
2-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]cyclohexan-1-ol
CID 102637079
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942
2-methyl-N-[[3-[[methyl(1-thiophen-2-ylethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62257623
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
2-methyl-N-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62256483
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol (CID 102637085) is 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol is CN(CC1(CNC(C)(C)C)CCOC1)C1CCCCC1O.
What is the InChIKey of 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
The InChIKey is WZTLMIKBKFHPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-16(2,3)18-11-17(9-10-21-13-17)12-19(4)14-7-5-6-8-15(14)20/h14-15,18,20H,5-13H2,1-4H3.
What are the key properties of 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol?
2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102637085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).