1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol

C12H25NO4 — CID 103181567

IUPAC1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
SMILESCOCCCOCCOCC(O)(CN)C1CC1
InChIInChI=1S/C12H25NO4/c1-15-5-2-6-16-7-8-17-10-12(14,9-13)11-3-4-11/h11,14H,2-10,13H2,1H3
InChIKeyHTBJDLFFUIPYKG-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.16
Rot. Bonds11

About 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol

1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol (PubChem CID 103181567) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
PubChem CID103181567
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
SMILESCOCCCOCCOCC(O)(CN)C1CC1
InChIInChI=1S/C12H25NO4/c1-15-5-2-6-16-7-8-17-10-12(14,9-13)11-3-4-11/h11,14H,2-10,13H2,1H3
InChIKeyHTBJDLFFUIPYKG-UHFFFAOYSA-N
XLogP0.16
TPSA73.94 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 ≤ 50.16
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-amino-2-cyclopropyl-3-hexoxypropan-2-ol
CID 64814184
1-amino-2-cyclopropyl-3-methoxypropan-2-ol
CID 64813573
1-amino-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64815024
methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
CID 103404790
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
2-[2-(3-methoxypropoxy)ethoxy]ethanamine
CID 103175799
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-amino-3-cyclobutyloxy-2-cyclopropylpropan-2-ol
CID 64819892
1-amino-3-cyclopentyloxy-2-cyclopropylpropan-2-ol
CID 64812943
1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanoic acid
CID 103180133
1-amino-2-cyclopropyl-3-(oxolan-3-ylmethoxy)propan-2-ol
CID 64819659

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol (CID 103181567) is 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol is COCCCOCCOCC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
The InChIKey is HTBJDLFFUIPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-15-5-2-6-16-7-8-17-10-12(14,9-13)11-3-4-11/h11,14H,2-10,13H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol has a molecular weight of 247.33 g/mol, XLogP of 0.16, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-[2-(3-methoxypropoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 103181567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).