1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol

C12H25NO2 — CID 21296269

IUPAC1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COCCC1CC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)13-8-11(14)9-15-7-6-10-4-5-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyIIJUJRXELHSCDL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds7

About 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol

1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol (PubChem CID 21296269) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol
PubChem CID21296269
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COCCC1CC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)13-8-11(14)9-15-7-6-10-4-5-10/h10-11,13-14H,4-9H2,1-3H3
InChIKeyIIJUJRXELHSCDL-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

1-(tert-Butylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 44274623
1-(Tert-butylamino)-3-isobutoxy-2-propanol
CID 12606684
1-(Tert-butylamino)-3-propan-2-yloxypropan-2-ol
CID 12606686
1-(Tert-butylamino)-3-(1-cyclopropylethoxy)propan-2-ol
CID 44274622
1-(Tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol
CID 44459891
1-Butoxy-3-(tert-butylamino)propan-2-ol
CID 3067038
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(1-methylpropoxy)-
CID 3067040
2-Propanol, 1-(2-methylbutoxy)-3-((1-methylethyl)amino)-
CID 3067041
1-(tert-Butylamino)-3-(dicyclopropylmethoxy)propan-2-ol
CID 21296271
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((1-methylpentyl)oxy)-, hydrochloride
CID 3067051
1-[(2-Methylbutan-2-yl)oxy]-3-[(2-methylpropyl)amino]propan-2-ol
CID 16958197
1-(Cyclopentyloxy)-3-[(2-methylpropyl)amino]propan-2-ol
CID 13615222

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol (CID 21296269) is 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol is CC(C)(C)NCC(O)COCCC1CC1.
What is the InChIKey of 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol?
The InChIKey is IIJUJRXELHSCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)13-8-11(14)9-15-7-6-10-4-5-10/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol?
1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-cyclopropylethoxy)propan-2-ol is sourced from PubChem (CID 21296269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).