2-(2-hydroxybutylamino)-2-methylbutan-1-ol

C9H21NO2 — CID 64548924

IUPAC2-(2-hydroxybutylamino)-2-methylbutan-1-ol
SMILESCCC(O)CNC(C)(CC)CO
InChIInChI=1S/C9H21NO2/c1-4-8(12)6-10-9(3,5-2)7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyHLNLFARLMRTLPC-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.51
Rot. Bonds6

About 2-(2-hydroxybutylamino)-2-methylbutan-1-ol

2-(2-hydroxybutylamino)-2-methylbutan-1-ol (PubChem CID 64548924) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(2-hydroxybutylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-hydroxybutylamino)-2-methylbutan-1-ol
PubChem CID64548924
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(2-hydroxybutylamino)-2-methylbutan-1-ol
SMILESCCC(O)CNC(C)(CC)CO
InChIInChI=1S/C9H21NO2/c1-4-8(12)6-10-9(3,5-2)7-11/h8,10-12H,4-7H2,1-3H3
InChIKeyHLNLFARLMRTLPC-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

1-(3-methylpentan-3-ylamino)butan-2-ol
CID 103766620
1-(2-methylbutan-2-ylamino)butan-2-ol
CID 20673371
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64548728
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332
2-methyl-2-(pentan-3-ylamino)butan-1-ol
CID 78996542
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 89292350
2-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxypropyl]amino]-2-methylpropane-1,3-diol;2-[[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]amino]-2-methylpropan-1-ol
CID 158285222
2-(2-hydroxybutylamino)-2-methylpropanoic acid
CID 65263487
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
CID 64548724
3-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 106175670

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxybutylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(2-hydroxybutylamino)-2-methylbutan-1-ol (CID 64548924) is 2-(2-hydroxybutylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2-hydroxybutylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2-hydroxybutylamino)-2-methylbutan-1-ol is CCC(O)CNC(C)(CC)CO.
What is the InChIKey of 2-(2-hydroxybutylamino)-2-methylbutan-1-ol?
The InChIKey is HLNLFARLMRTLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-8(12)6-10-9(3,5-2)7-11/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxybutylamino)-2-methylbutan-1-ol?
2-(2-hydroxybutylamino)-2-methylbutan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxybutylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64548924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).