1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol

C13H21N3O2 — CID 10848361

IUPAC1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CO/N=C/c1cccnc1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)15-9-12(17)10-18-16-8-11-5-4-6-14-7-11/h4-8,12,15,17H,9-10H2,1-3H3/b16-8+
InChIKeyLFCOEJZFQOSYBW-LZYBPNLTSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds6

About 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol

1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol (PubChem CID 10848361) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol
PubChem CID10848361
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol
SMILESCC(C)(C)NCC(O)CO/N=C/c1cccnc1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)15-9-12(17)10-18-16-8-11-5-4-6-14-7-11/h4-8,12,15,17H,9-10H2,1-3H3/b16-8+
InChIKeyLFCOEJZFQOSYBW-LZYBPNLTSA-N
XLogP1.18
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
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'}

Analyze 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(3-methylbutoxy)-1-pyridin-3-ylmethanimine
CID 5355487
1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
CID 19744136
1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
CID 12797749
1-(tert-butylamino)-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 115475954
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-[(2-methylpropan-2-yl)oxy]-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81405230
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
N-tert-butyl-3-methyl-2-pyridin-3-ylpentan-1-amine
CID 80522237
tert-butyl (NE)-N-(pyridin-3-ylmethylidene)carbamate
CID 11481157
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol (CID 10848361) is 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol is CC(C)(C)NCC(O)CO/N=C/c1cccnc1.
What is the InChIKey of 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol?
The InChIKey is LFCOEJZFQOSYBW-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)15-9-12(17)10-18-16-8-11-5-4-6-14-7-11/h4-8,12,15,17H,9-10H2,1-3H3/b16-8+.
What are the key properties of 1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol?
1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.18, 6 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)-pyridin-3-ylmethylideneamino]oxypropan-2-ol is sourced from PubChem (CID 10848361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).