2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane

C11H30N2O2 — CID 158688440

IUPAC2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane
SMILESC.C.CC(C)(CO)NCNC(C)(C)CO
InChIInChI=1S/C9H22N2O2.2CH4/c1-8(2,5-12)10-7-11-9(3,4)6-13;;/h10-13H,5-7H2,1-4H3;2*1H4
InChIKeyIGAQJVXMAIIENQ-UHFFFAOYSA-N
MW222.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane

2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane (PubChem CID 158688440) has the molecular formula C11H30N2O2 and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane.

Molecular Properties

Compound Name2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane
PubChem CID158688440
Molecular FormulaC11H30N2O2
Molecular Weight222.37 g/mol
Exact Mass222.23
IUPAC Name2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane
SMILESC.C.CC(C)(CO)NCNC(C)(C)CO
InChIInChI=1S/C9H22N2O2.2CH4/c1-8(2,5-12)10-7-11-9(3,4)6-13;;/h10-13H,5-7H2,1-4H3;2*1H4
InChIKeyIGAQJVXMAIIENQ-UHFFFAOYSA-N
XLogP0.94
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
2-methyl-2-[2-(methylamino)ethylamino]propan-1-ol
CID 132887947
2-[[2-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 58721712
2-(ethylamino)-2-methylpropan-1-ol;1,2,3,4,5,6-hexamethylbenzene;ruthenium(3+)
CID 56947660
2-(2,2-dimethylpentylamino)-2-methylpropan-1-ol
CID 115133723
2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 134891098
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248
2-[[bis(1-hydroxyethyl)amino]methylamino]-2-methylpropan-1-ol
CID 57175025
2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
CID 104643937
2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133734
2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
CID 165464166
3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfinate
CID 91486415

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane?
The IUPAC name of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane (CID 158688440) is 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane.
What is the SMILES notation for 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane?
The canonical SMILES for 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane is C.C.CC(C)(CO)NCNC(C)(C)CO.
What is the InChIKey of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane?
The InChIKey is IGAQJVXMAIIENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2.2CH4/c1-8(2,5-12)10-7-11-9(3,4)6-13;;/h10-13H,5-7H2,1-4H3;2*1H4.
What are the key properties of 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane?
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane has a molecular weight of 222.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane is sourced from PubChem (CID 158688440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).