1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol

C15H30N2O3 — CID 10356679

IUPAC1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol
SMILESCOCC1CCCC/C1=N\OCC(O)CNC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-15(2,3)16-9-13(18)11-20-17-14-8-6-5-7-12(14)10-19-4/h12-13,16,18H,5-11H2,1-4H3/b17-14+
InChIKeyZMSSDZOBYKGFTA-SAPNQHFASA-N
MW286.42 g/mol
LogP1.94
Rot. Bonds7

About 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol

1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol (PubChem CID 10356679) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol
PubChem CID10356679
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol
SMILESCOCC1CCCC/C1=N\OCC(O)CNC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-15(2,3)16-9-13(18)11-20-17-14-8-6-5-7-12(14)10-19-4/h12-13,16,18H,5-11H2,1-4H3/b17-14+
InChIKeyZMSSDZOBYKGFTA-SAPNQHFASA-N
XLogP1.94
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
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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Related Compounds

1-(Tert-butylamino)-3-(cyclohexylmethoxy)propan-2-ol
CID 3067061
1-(tert-butylamino)-3-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxypropan-2-ol
CID 10265271
1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 10355171
(2E)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol
CID 10355172
1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 10357576
1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 10378559
1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 10446830
1-(tert-butylamino)-3-[(E)-(4-methoxy-4-methylpentan-2-ylidene)amino]oxypropan-2-ol
CID 11778117
(2Z)-2-[3-(tert-butylamino)-2-hydroxypropoxy]iminocyclohexan-1-ol
CID 101679723
1-[(Z)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
CID 101679724
1-(tert-butylamino)-3-[(Z)-[2-(hydroxymethyl)cyclohexylidene]amino]oxypropan-2-ol
CID 101679725

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol (CID 10356679) is 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol is COCC1CCCC/C1=N\OCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol?
The InChIKey is ZMSSDZOBYKGFTA-SAPNQHFASA-N. The full InChI is InChI=1S/C15H30N2O3/c1-15(2,3)16-9-13(18)11-20-17-14-8-6-5-7-12(14)10-19-4/h12-13,16,18H,5-11H2,1-4H3/b17-14+.
What are the key properties of 1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol?
1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 1.94, 7 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)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 10356679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).