2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol

C9H21NO2 — CID 13131209

IUPAC2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NC(C)(C)CO
InChIInChI=1S/C9H21NO2/c1-5-9(4,7-12)10-8(2,3)6-11/h10-12H,5-7H2,1-4H3
InChIKeyXUBYHNODAIZFCE-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds5

About 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol

2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 13131209) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol
PubChem CID13131209
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NC(C)(C)CO
InChIInChI=1S/C9H21NO2/c1-5-9(4,7-12)10-8(2,3)6-11/h10-12H,5-7H2,1-4H3
InChIKeyXUBYHNODAIZFCE-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-Azanediylbis(2-methylpropan-1-ol)
CID 13131208
1-methoxy-N-(1-methoxy-2-methylpropan-2-yl)-2-methylbutan-2-amine
CID 13131212
3,3'-Azanediylbis(3-methylbutan-1-ol)
CID 17910180
2-(Tert-butylamino)-2-methylpropan-1-ol
CID 19961335
2-Ethyl-2-(2-hydroxyethylamino)propane-1,3-diol
CID 20279191
2-(Butylamino)-2-ethylpropane-1,3-diol
CID 21452279
2-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 23049863
3-(Tert-butylamino)-3-methylbutan-2-ol
CID 23621840
Diethyl-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]azanium
CID 57736077
2-(Tert-butylamino)-2-methylpropane-1,3-diol
CID 58959508
2-(Tert-butylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 60147192
2-(Ethylamino)-2-methylbutan-1-ol
CID 61048934

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol (CID 13131209) is 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)NC(C)(C)CO.
What is the InChIKey of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is XUBYHNODAIZFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-9(4,7-12)10-8(2,3)6-11/h10-12H,5-7H2,1-4H3.
What are the key properties of 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol?
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 13131209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).