1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol

C13H30N2O3 — CID 114150038

IUPAC1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
SMILESCC(C)COCC(O)CNCC(C)(O)CN(C)C
InChIInChI=1S/C13H30N2O3/c1-11(2)7-18-8-12(16)6-14-9-13(3,17)10-15(4)5/h11-12,14,16-17H,6-10H2,1-5H3
InChIKeyOBBMUIPHDWALSB-UHFFFAOYSA-N
MW262.39 g/mol
LogP-0.08
Rot. Bonds10

About 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol (PubChem CID 114150038) has the molecular formula C13H30N2O3 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
PubChem CID114150038
Molecular FormulaC13H30N2O3
Molecular Weight262.39 g/mol
Exact Mass262.23
IUPAC Name1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
SMILESCC(C)COCC(O)CNCC(C)(O)CN(C)C
InChIInChI=1S/C13H30N2O3/c1-11(2)7-18-8-12(16)6-14-9-13(3,17)10-15(4)5/h11-12,14,16-17H,6-10H2,1-5H3
InChIKeyOBBMUIPHDWALSB-UHFFFAOYSA-N
XLogP-0.08
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60632580
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 102905545
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
CID 106147696
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol (CID 114150038) is 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol is CC(C)COCC(O)CNCC(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol?
The InChIKey is OBBMUIPHDWALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3/c1-11(2)7-18-8-12(16)6-14-9-13(3,17)10-15(4)5/h11-12,14,16-17H,6-10H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol has a molecular weight of 262.39 g/mol, XLogP of -0.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 114150038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).