1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol

C12H25NO4 — CID 104561121

IUPAC1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
SMILESCOCCOCCOCC(C)(O)CNC1CC1
InChIInChI=1S/C12H25NO4/c1-12(14,9-13-11-3-4-11)10-17-8-7-16-6-5-15-2/h11,13-14H,3-10H2,1-2H3
InChIKeyXYUVVFBOJQQHFJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.17
Rot. Bonds11

About 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol

1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol (PubChem CID 104561121) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
PubChem CID104561121
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol
SMILESCOCCOCCOCC(C)(O)CNC1CC1
InChIInChI=1S/C12H25NO4/c1-12(14,9-13-11-3-4-11)10-17-8-7-16-6-5-15-2/h11,13-14H,3-10H2,1-2H3
InChIKeyXYUVVFBOJQQHFJ-UHFFFAOYSA-N
XLogP0.17
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol
CID 66334601
1-butoxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66334437
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665
1-(2-methoxyethoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335939
1-(cyclopropylamino)-2-methyl-3-(2-methylpentoxy)propan-2-ol
CID 103283560
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
3-(cyclopropylamino)-2-methylpropane-1,2-diol
CID 66335197
1-(cyclopropylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500216
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
1-(cyclopropylamino)-3-(3,5-dimethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 66335664
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-2-ol
CID 176872926

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol (CID 104561121) is 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol is COCCOCCOCC(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol?
The InChIKey is XYUVVFBOJQQHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-12(14,9-13-11-3-4-11)10-17-8-7-16-6-5-15-2/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol?
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol has a molecular weight of 247.33 g/mol, XLogP of 0.17, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 104561121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).