1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol

C14H31NO4 — CID 107151910

IUPAC1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
SMILESCOCC(C)OCC(O)CNCC(O)CC(C)(C)C
InChIInChI=1S/C14H31NO4/c1-11(9-18-5)19-10-13(17)8-15-7-12(16)6-14(2,3)4/h11-13,15-17H,6-10H2,1-5H3
InChIKeyROCXDQSZQBZBPU-UHFFFAOYSA-N
MW277.40 g/mol
LogP0.79
Rot. Bonds10

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

1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107151910) has the molecular formula C14H31NO4 and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107151910
Molecular FormulaC14H31NO4
Molecular Weight277.40 g/mol
Exact Mass277.23
IUPAC Name1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol
SMILESCOCC(C)OCC(O)CNCC(O)CC(C)(C)C
InChIInChI=1S/C14H31NO4/c1-11(9-18-5)19-10-13(17)8-15-7-12(16)6-14(2,3)4/h11-13,15-17H,6-10H2,1-5H3
InChIKeyROCXDQSZQBZBPU-UHFFFAOYSA-N
XLogP0.79
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
3-[[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]methyl]pentan-3-ol
CID 106990049
1-(1-methoxypropan-2-yloxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 106989964
1-(cyclobutylmethylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989343
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-[(2-hydroxy-2-phenylethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989374
1-(2-methoxyethoxyamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990341
1-(1-methoxypropan-2-yloxy)-3-(2-methylpropoxyamino)propan-2-ol
CID 106990337
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
4-hydroxy-5-(1-methoxypropan-2-yloxy)-2,2-dimethylpentanoic acid
CID 106991570
1-(hex-5-ynylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106211311
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol (CID 107151910) is 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol is COCC(C)OCC(O)CNCC(O)CC(C)(C)C.
What is the InChIKey of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is ROCXDQSZQBZBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO4/c1-11(9-18-5)19-10-13(17)8-15-7-12(16)6-14(2,3)4/h11-13,15-17H,6-10H2,1-5H3.
What are the key properties of 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol?
1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 277.40 g/mol, XLogP of 0.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).