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

C14H31NO3 — CID 113376237

IUPAC4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC(C)CC(C)O
InChIInChI=1S/C14H31NO3/c1-10(2)6-13(5)18-9-14(17)8-15-11(3)7-12(4)16/h10-17H,6-9H2,1-5H3
InChIKeyODYDHCUMBJECFN-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.55
Rot. Bonds10

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

4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol (PubChem CID 113376237) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
PubChem CID113376237
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Name4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
SMILESCC(C)CC(C)OCC(O)CNC(C)CC(C)O
InChIInChI=1S/C14H31NO3/c1-10(2)6-13(5)18-9-14(17)8-15-11(3)7-12(4)16/h10-17H,6-9H2,1-5H3
InChIKeyODYDHCUMBJECFN-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methylheptan-2-ylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 60635420
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507
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
2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
CID 60909433
1-(1-cyclohexylpropylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62405754
1-(3,3-dimethylbutylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 115581046
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
CID 115359751
3-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
1-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81370810
1-[(2-methylcyclopentyl)amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 55172046
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-4-methylpentan-1-ol
CID 61246280

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol?
The IUPAC name of 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol (CID 113376237) is 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol?
The canonical SMILES for 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol is CC(C)CC(C)OCC(O)CNC(C)CC(C)O.
What is the InChIKey of 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol?
The InChIKey is ODYDHCUMBJECFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO3/c1-10(2)6-13(5)18-9-14(17)8-15-11(3)7-12(4)16/h10-17H,6-9H2,1-5H3.
What are the key properties of 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol?
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 1.55, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol is sourced from PubChem (CID 113376237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).