1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol

C11H26N2O4 — CID 88894374

IUPAC1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
SMILESCC(C)(N)COCC(O)CN(CCO)CCO
InChIInChI=1S/C11H26N2O4/c1-11(2,12)9-17-8-10(16)7-13(3-5-14)4-6-15/h10,14-16H,3-9,12H2,1-2H3
InChIKeyQWVCKDGOVNRRFI-UHFFFAOYSA-N
MW250.34 g/mol
LogP-1.61
Rot. Bonds10

About 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol

1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 88894374) has the molecular formula C11H26N2O4 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
PubChem CID88894374
Molecular FormulaC11H26N2O4
Molecular Weight250.34 g/mol
Exact Mass250.19
IUPAC Name1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
SMILESCC(C)(N)COCC(O)CN(CCO)CCO
InChIInChI=1S/C11H26N2O4/c1-11(2,12)9-17-8-10(16)7-13(3-5-14)4-6-15/h10,14-16H,3-9,12H2,1-2H3
InChIKeyQWVCKDGOVNRRFI-UHFFFAOYSA-N
XLogP-1.61
TPSA99.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]propan-2-ol
CID 129270703
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-(2-amino-2-methylpropoxy)-3-ethoxypropan-2-ol
CID 106939938
1-(2-amino-2-methylpropoxy)butan-2-ol
CID 106939915
1-[bis(2-hydroxyethyl)amino]-3-[2-[[3-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]-2,2-bis[[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]methyl]propoxy]methyl]-2-[3-[bis(2-hydroxyethyl)amino]propoxymethyl]-3-propoxypropoxy]propan-2-ol
CID 129270890
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
CID 156568864
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
CID 107483861
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
1-[bis(2-hydroxyethyl)amino]-3-[2-(but-3-enoxymethyl)-2-[2-(ethenoxymethoxy)ethoxymethyl]butoxy]propan-2-ol
CID 88981124
ethyl 2-[[3-[2-[[3-[bis(2-ethoxy-2-oxoethyl)amino]-2-hydroxypropoxy]methyl]-3-[3-(dipropylamino)-2-hydroxypropoxy]-2-[[3-(dipropylamino)-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 58436351

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol (CID 88894374) is 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol is CC(C)(N)COCC(O)CN(CCO)CCO.
What is the InChIKey of 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is QWVCKDGOVNRRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O4/c1-11(2,12)9-17-8-10(16)7-13(3-5-14)4-6-15/h10,14-16H,3-9,12H2,1-2H3.
What are the key properties of 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol?
1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of -1.61, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 88894374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).