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

C14H31NO3 — CID 115359751

IUPAC3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)CC(C)OCC(O)CNCC(C)(C)CO
InChIInChI=1S/C14H31NO3/c1-11(2)6-12(3)18-8-13(17)7-15-9-14(4,5)10-16/h11-13,15-17H,6-10H2,1-5H3
InChIKeyXYPDWNFADONAPC-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.41
Rot. Bonds10

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

3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115359751) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115359751
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)CC(C)OCC(O)CNCC(C)(C)CO
InChIInChI=1S/C14H31NO3/c1-11(2)6-12(3)18-8-13(17)7-15-9-14(4,5)10-16/h11-13,15-17H,6-10H2,1-5H3
InChIKeyXYPDWNFADONAPC-UHFFFAOYSA-N
XLogP1.41
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
CID 60909433
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
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
CID 54938438
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
3-[[2-(dimethylamino)-4-methylpentyl]amino]-2,2-dimethylpropan-1-ol
CID 81414349
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
3-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 81411966

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol (CID 115359751) is 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol is CC(C)CC(C)OCC(O)CNCC(C)(C)CO.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is XYPDWNFADONAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-11(2)6-12(3)18-8-13(17)7-15-9-14(4,5)10-16/h11-13,15-17H,6-10H2,1-5H3.
What are the key properties of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol?
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 1.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).