3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol

C12H25NO2 — CID 64807100

IUPAC3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCCCOCC(CO)(NCC)C1CC1
InChIInChI=1S/C12H25NO2/c1-3-5-8-15-10-12(9-14,13-4-2)11-6-7-11/h11,13-14H,3-10H2,1-2H3
InChIKeyQNDZFEFAPHGXNX-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds9

About 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol

3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol (PubChem CID 64807100) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
PubChem CID64807100
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
SMILESCCCCOCC(CO)(NCC)C1CC1
InChIInChI=1S/C12H25NO2/c1-3-5-8-15-10-12(9-14,13-4-2)11-6-7-11/h11,13-14H,3-10H2,1-2H3
InChIKeyQNDZFEFAPHGXNX-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 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 ≤ 51.55
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

2-cyclopropyl-2-(ethylamino)-3-heptoxypropan-1-ol
CID 64803350
3-cyclobutyloxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64808658
2-amino-3-butoxy-2-cyclopropylpropan-1-ol
CID 64808134
3-(2-butoxyethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 64803984
3-butoxy-2-cyclopropyl-2-(ethylamino)propanamide
CID 63918660
2-cyclopropyl-2-(ethylamino)-3-pentylsulfanylpropan-1-ol
CID 107764647
3-(2-butoxyethoxy)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63919349
butan-1-ol;1-butoxybutane
CID 19700093
2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041
2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propan-1-ol
CID 64796545
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanamide
CID 63921120

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol (CID 64807100) is 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol is CCCCOCC(CO)(NCC)C1CC1.
What is the InChIKey of 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol?
The InChIKey is QNDZFEFAPHGXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-8-15-10-12(9-14,13-4-2)11-6-7-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol?
3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64807100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).