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

C12H25NO3 — CID 106450721

IUPAC2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
SMILESCC(C)COCCOCC(N)(CO)C1CC1
InChIInChI=1S/C12H25NO3/c1-10(2)7-15-5-6-16-9-12(13,8-14)11-3-4-11/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQXKGTXAYNNHZAO-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.78
Rot. Bonds9

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

2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol (PubChem CID 106450721) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
PubChem CID106450721
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
SMILESCC(C)COCCOCC(N)(CO)C1CC1
InChIInChI=1S/C12H25NO3/c1-10(2)7-15-5-6-16-9-12(13,8-14)11-3-4-11/h10-11,14H,3-9,13H2,1-2H3
InChIKeyQXKGTXAYNNHZAO-UHFFFAOYSA-N
XLogP0.78
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.78
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

2-amino-3-butoxy-2-cyclopropylpropan-1-ol
CID 64808134
2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol
CID 66225530
2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propan-1-ol
CID 64803573
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
CID 106450699
2-cyclopropyl-2-(methylamino)-3-(2-methylpropoxy)propan-1-ol
CID 64802778
2-amino-2-cyclopropylbutan-1-ol
CID 64919158
2-amino-2-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115746731
2-amino-2-cyclopropyl-3-[2-methylpropyl(propan-2-yl)amino]propan-1-ol
CID 64828209
[2-cyclohexyl-1,3-bis(2-methylpropoxy)propan-2-yl]cyclohexane
CID 22372616

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol (CID 106450721) is 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol is CC(C)COCCOCC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol?
The InChIKey is QXKGTXAYNNHZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)7-15-5-6-16-9-12(13,8-14)11-3-4-11/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol?
2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]propan-1-ol is sourced from PubChem (CID 106450721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).