1-amino-2-cyclopropyl-3-hexoxypropan-2-ol

C12H25NO2 — CID 64814184

IUPAC1-amino-2-cyclopropyl-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)(CN)C1CC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-8-15-10-12(14,9-13)11-6-7-11/h11,14H,2-10,13H2,1H3
InChIKeyBYBFUVFLNRQSPQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds9

About 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol

1-amino-2-cyclopropyl-3-hexoxypropan-2-ol (PubChem CID 64814184) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-hexoxypropan-2-ol
PubChem CID64814184
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-amino-2-cyclopropyl-3-hexoxypropan-2-ol
SMILESCCCCCCOCC(O)(CN)C1CC1
InChIInChI=1S/C12H25NO2/c1-2-3-4-5-8-15-10-12(14,9-13)11-6-7-11/h11,14H,2-10,13H2,1H3
InChIKeyBYBFUVFLNRQSPQ-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 64815024
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120
ethyl 2-amino-2-cyclopropyl-3-heptoxypropanoate
CID 63921710
ethyl 2-amino-2-cyclopropyl-3-hexoxypropanoate
CID 63921508
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol (CID 64814184) is 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol is CCCCCCOCC(O)(CN)C1CC1.
What is the InChIKey of 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol?
The InChIKey is BYBFUVFLNRQSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-3-4-5-8-15-10-12(14,9-13)11-6-7-11/h11,14H,2-10,13H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol?
1-amino-2-cyclopropyl-3-hexoxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-hexoxypropan-2-ol is sourced from PubChem (CID 64814184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).