2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol

C17H43N3O5 — CID 142545394

IUPAC2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol
SMILESCNC(CO)C(O)C(C)C.CNC(COC)C(O)C(C)C.NCCO
InChIInChI=1S/C8H19NO2.C7H17NO2.C2H7NO/c1-6(2)8(10)7(9-3)5-11-4;1-5(2)7(10)6(4-9)8-3;3-1-2-4/h6-10H,5H2,1-4H3;5-10H,4H2,1-3H3;4H,1-3H2
InChIKeyRSIFUSKBNZAKID-UHFFFAOYSA-N
MW369.55 g/mol
LogP-1.24
Rot. Bonds10

About 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol

2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol (PubChem CID 142545394) has the molecular formula C17H43N3O5 and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol.

Molecular Properties

Compound Name2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol
PubChem CID142545394
Molecular FormulaC17H43N3O5
Molecular Weight369.55 g/mol
Exact Mass369.32
IUPAC Name2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol
SMILESCNC(CO)C(O)C(C)C.CNC(COC)C(O)C(C)C.NCCO
InChIInChI=1S/C8H19NO2.C7H17NO2.C2H7NO/c1-6(2)8(10)7(9-3)5-11-4;1-5(2)7(10)6(4-9)8-3;3-1-2-4/h6-10H,5H2,1-4H3;5-10H,4H2,1-3H3;4H,1-3H2
InChIKeyRSIFUSKBNZAKID-UHFFFAOYSA-N
XLogP-1.24
TPSA140.23 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 5-1.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol with MolForge

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Related Compounds

1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
(2S,3R)-2-(methylamino)butane-1,3-diol
CID 59886106
2-(methylamino)pentane-1,3-diol;hydrobromide
CID 174751065
2-(methylamino)propane-1,1,3-triol
CID 175078903
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
CID 173459729
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
4-amino-1-methoxy-2-methylpentan-3-ol
CID 116502128
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol?
The IUPAC name of 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol (CID 142545394) is 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol.
What is the SMILES notation for 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol?
The canonical SMILES for 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol is CNC(CO)C(O)C(C)C.CNC(COC)C(O)C(C)C.NCCO.
What is the InChIKey of 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol?
The InChIKey is RSIFUSKBNZAKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2.C7H17NO2.C2H7NO/c1-6(2)8(10)7(9-3)5-11-4;1-5(2)7(10)6(4-9)8-3;3-1-2-4/h6-10H,5H2,1-4H3;5-10H,4H2,1-3H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol?
2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol has a molecular weight of 369.55 g/mol, XLogP of -1.24, 10 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;1-methoxy-4-methyl-2-(methylamino)pentan-3-ol;4-methyl-2-(methylamino)pentane-1,3-diol is sourced from PubChem (CID 142545394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).