2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol

C13H29NO3 — CID 60909433

IUPAC2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
SMILESCC(C)CC(C)OCC(O)CNC(C)(C)CO
InChIInChI=1S/C13H29NO3/c1-10(2)6-11(3)17-8-12(16)7-14-13(4,5)9-15/h10-12,14-16H,6-9H2,1-5H3
InChIKeyDBXZLQDDMFCXDL-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.16
Rot. Bonds9

About 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol

2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol (PubChem CID 60909433) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
PubChem CID60909433
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
SMILESCC(C)CC(C)OCC(O)CNC(C)(C)CO
InChIInChI=1S/C13H29NO3/c1-10(2)6-11(3)17-8-12(16)7-14-13(4,5)9-15/h10-12,14-16H,6-9H2,1-5H3
InChIKeyDBXZLQDDMFCXDL-UHFFFAOYSA-N
XLogP1.16
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
CID 115359751
1-(3,3-dimethylbutylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 115581046
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438
1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60635420
(2S)-2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
CID 7004980
1-(5-chloro-2-methylanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60904275
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol (CID 60909433) is 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol is CC(C)CC(C)OCC(O)CNC(C)(C)CO.
What is the InChIKey of 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol?
The InChIKey is DBXZLQDDMFCXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-10(2)6-11(3)17-8-12(16)7-14-13(4,5)9-15/h10-12,14-16H,6-9H2,1-5H3.
What are the key properties of 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol?
2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 60909433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).