1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol

C10H22N2O2 — CID 12606706

IUPAC1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol
SMILESCC(C)=NOCC(O)CNC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)12-14-7-9(13)6-11-10(3,4)5/h9,11,13H,6-7H2,1-5H3
InChIKeyAFWOEYYVPRUVIQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.15
Rot. Bonds5

About 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol

1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol (PubChem CID 12606706) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol
PubChem CID12606706
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol
SMILESCC(C)=NOCC(O)CNC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)12-14-7-9(13)6-11-10(3,4)5/h9,11,13H,6-7H2,1-5H3
InChIKeyAFWOEYYVPRUVIQ-UHFFFAOYSA-N
XLogP1.15
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol (CID 12606706) is 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol is CC(C)=NOCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol?
The InChIKey is AFWOEYYVPRUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)12-14-7-9(13)6-11-10(3,4)5/h9,11,13H,6-7H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol?
1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol has a molecular weight of 202.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(propan-2-ylideneamino)oxypropan-2-ol is sourced from PubChem (CID 12606706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).