2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol

C13H28N2O2 — CID 79377975

IUPAC2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol
SMILESCNCC1(CN(C)CC(C)(C)O)CCOCC1
InChIInChI=1S/C13H28N2O2/c1-12(2,16)10-15(4)11-13(9-14-3)5-7-17-8-6-13/h14,16H,5-11H2,1-4H3
InChIKeySJAZUZAUDVGWLP-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.71
Rot. Bonds6

About 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol

2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol (PubChem CID 79377975) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol
PubChem CID79377975
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol
SMILESCNCC1(CN(C)CC(C)(C)O)CCOCC1
InChIInChI=1S/C13H28N2O2/c1-12(2,16)10-15(4)11-13(9-14-3)5-7-17-8-6-13/h14,16H,5-11H2,1-4H3
InChIKeySJAZUZAUDVGWLP-UHFFFAOYSA-N
XLogP0.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
2-[2-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]ethoxy]ethanol
CID 114243662
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
CID 62390793
2-[1-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]cyclopropyl]ethanethioamide
CID 79381058
1-cyclopropyl-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 62391484
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
1-(3-chlorophenyl)-N-methyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]methanamine
CID 62390445
N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
CID 102997192
N,2-dimethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]aniline
CID 62391682
N-methyl-1-[4-(3-methylbutyl)oxan-4-yl]methanamine
CID 62905014
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol (CID 79377975) is 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol is CNCC1(CN(C)CC(C)(C)O)CCOCC1.
What is the InChIKey of 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol?
The InChIKey is SJAZUZAUDVGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2,16)10-15(4)11-13(9-14-3)5-7-17-8-6-13/h14,16H,5-11H2,1-4H3.
What are the key properties of 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[[4-(methylaminomethyl)oxan-4-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 79377975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).