2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol

C12H25NO2 — CID 66225530

IUPAC2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol
SMILESCC(C)(C)CCOCC(N)(CO)C1CC1
InChIInChI=1S/C12H25NO2/c1-11(2,3)6-7-15-9-12(13,8-14)10-4-5-10/h10,14H,4-9,13H2,1-3H3
InChIKeyICRXPZLUKFVRQP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.54
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol

2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol (PubChem CID 66225530) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol
PubChem CID66225530
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol
SMILESCC(C)(C)CCOCC(N)(CO)C1CC1
InChIInChI=1S/C12H25NO2/c1-11(2,3)6-7-15-9-12(13,8-14)10-4-5-10/h10,14H,4-9,13H2,1-3H3
InChIKeyICRXPZLUKFVRQP-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol (CID 66225530) is 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol is CC(C)(C)CCOCC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol?
The InChIKey is ICRXPZLUKFVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)6-7-15-9-12(13,8-14)10-4-5-10/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3,3-dimethylbutoxy)propan-1-ol is sourced from PubChem (CID 66225530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).