4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol

C15H33NO3 — CID 106146723

IUPAC4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)CCCOCC(O)CNCC(C)(C)CCO
InChIInChI=1S/C15H33NO3/c1-13(2)6-5-9-19-11-14(18)10-16-12-15(3,4)7-8-17/h13-14,16-18H,5-12H2,1-4H3
InChIKeyADBXWBMAGGMCLZ-UHFFFAOYSA-N
MW275.43 g/mol
LogP1.80
Rot. Bonds12

About 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol

4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106146723) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106146723
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)CCCOCC(O)CNCC(C)(C)CCO
InChIInChI=1S/C15H33NO3/c1-13(2)6-5-9-19-11-14(18)10-16-12-15(3,4)7-8-17/h13-14,16-18H,5-12H2,1-4H3
InChIKeyADBXWBMAGGMCLZ-UHFFFAOYSA-N
XLogP1.80
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxy-2-methylpropyl)amino]-3-(4-methylpentoxy)propan-2-ol
CID 114941923
1-butoxy-3-[(4-methoxy-2,2-dimethylbutyl)amino]propan-2-ol
CID 114125244
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
CID 113478776
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851
1-(2-methoxyethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 82723139
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol (CID 106146723) is 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol is CC(C)CCCOCC(O)CNCC(C)(C)CCO.
What is the InChIKey of 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is ADBXWBMAGGMCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-13(2)6-5-9-19-11-14(18)10-16-12-15(3,4)7-8-17/h13-14,16-18H,5-12H2,1-4H3.
What are the key properties of 4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol?
4-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 275.43 g/mol, XLogP of 1.80, 12 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-methylpentoxy)propyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).