1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol

C13H27NO2 — CID 66334601

IUPAC1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol
SMILESCC(C)(C)CCOCC(C)(O)CNC1CC1
InChIInChI=1S/C13H27NO2/c1-12(2,3)7-8-16-10-13(4,15)9-14-11-5-6-11/h11,14-15H,5-10H2,1-4H3
InChIKeyXVWVVQKRBJTWCZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds7

About 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol

1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol (PubChem CID 66334601) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol
PubChem CID66334601
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol
SMILESCC(C)(C)CCOCC(C)(O)CNC1CC1
InChIInChI=1S/C13H27NO2/c1-12(2,3)7-8-16-10-13(4,15)9-14-11-5-6-11/h11,14-15H,5-10H2,1-4H3
InChIKeyXVWVVQKRBJTWCZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
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 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol (CID 66334601) is 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol is CC(C)(C)CCOCC(C)(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol?
The InChIKey is XVWVVQKRBJTWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)7-8-16-10-13(4,15)9-14-11-5-6-11/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol?
1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3,3-dimethylbutoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 66334601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).