1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol

C11H25NO3 — CID 106989003

IUPAC1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COCCOC
InChIInChI=1S/C11H25NO3/c1-4-10(5-2)12-8-11(13)9-15-7-6-14-3/h10-13H,4-9H2,1-3H3
InChIKeyDZGUTSFLEFXAKU-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.79
Rot. Bonds10

About 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol

1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol (PubChem CID 106989003) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
PubChem CID106989003
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
SMILESCCC(CC)NCC(O)COCCOC
InChIInChI=1S/C11H25NO3/c1-4-10(5-2)12-8-11(13)9-15-7-6-14-3/h10-13H,4-9H2,1-3H3
InChIKeyDZGUTSFLEFXAKU-UHFFFAOYSA-N
XLogP0.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
1-(2-methoxyethoxy)-3-(1-methylsulfanylbutan-2-ylamino)propan-2-ol
CID 106990546
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
N'-hydroxy-3-[(2-hydroxy-3-methoxypropyl)amino]pentanimidamide
CID 77030890
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol (CID 106989003) is 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol is CCC(CC)NCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol?
The InChIKey is DZGUTSFLEFXAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3/c1-4-10(5-2)12-8-11(13)9-15-7-6-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol?
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol has a molecular weight of 219.32 g/mol, XLogP of 0.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 106989003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).