2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol

C12H25NO3 — CID 112590416

IUPAC2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol
SMILESCC(C)(C)OCCOCC(CO)NC1CC1
InChIInChI=1S/C12H25NO3/c1-12(2,3)16-7-6-15-9-11(8-14)13-10-4-5-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyMOGUXBQACUSPSQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds8

About 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol

2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol (PubChem CID 112590416) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol
PubChem CID112590416
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol
SMILESCC(C)(C)OCCOCC(CO)NC1CC1
InChIInChI=1S/C12H25NO3/c1-12(2,3)16-7-6-15-9-11(8-14)13-10-4-5-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyMOGUXBQACUSPSQ-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol (CID 112590416) is 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol is CC(C)(C)OCCOCC(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol?
The InChIKey is MOGUXBQACUSPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2,3)16-7-6-15-9-11(8-14)13-10-4-5-10/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol?
2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-ol is sourced from PubChem (CID 112590416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).