1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol

C14H30N2O3 — CID 11778117

IUPAC1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol
SMILESCOC(C)(C)C/C(C)=N/OCC(O)CNC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-11(8-14(5,6)18-7)16-19-10-12(17)9-15-13(2,3)4/h12,15,17H,8-10H2,1-7H3/b16-11+
InChIKeyZBISLMROWPJEHW-LFIBNONCSA-N
MW274.40 g/mol
LogP1.94
Rot. Bonds8

About 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol

1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol (PubChem CID 11778117) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol
PubChem CID11778117
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol
SMILESCOC(C)(C)C/C(C)=N/OCC(O)CNC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-11(8-14(5,6)18-7)16-19-10-12(17)9-15-13(2,3)4/h12,15,17H,8-10H2,1-7H3/b16-11+
InChIKeyZBISLMROWPJEHW-LFIBNONCSA-N
XLogP1.94
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol (CID 11778117) is 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol is COC(C)(C)C/C(C)=N/OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol?
The InChIKey is ZBISLMROWPJEHW-LFIBNONCSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-11(8-14(5,6)18-7)16-19-10-12(17)9-15-13(2,3)4/h12,15,17H,8-10H2,1-7H3/b16-11+.
What are the key properties of 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol?
1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol is sourced from PubChem (CID 11778117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).