(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol

C14H22N2O2 — CID 100938616

IUPAC(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol
SMILESCC(C)(C)NCC(O)/C=N\OCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)15-9-13(17)10-16-18-11-12-7-5-4-6-8-12/h4-8,10,13,15,17H,9,11H2,1-3H3/b16-10-
InChIKeyIDLOJPOTQSOTBI-YBEGLDIGSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds6

About (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol

(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol (PubChem CID 100938616) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol.

Molecular Properties

Compound Name(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol
PubChem CID100938616
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol
SMILESCC(C)(C)NCC(O)/C=N\OCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)15-9-13(17)10-16-18-11-12-7-5-4-6-8-12/h4-8,10,13,15,17H,9,11H2,1-3H3/b16-10-
InChIKeyIDLOJPOTQSOTBI-YBEGLDIGSA-N
XLogP1.94
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
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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Related Compounds

(2R,3E)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxyimino]propan-2-ol
CID 10401649
(3E)-1-(tert-butylamino)-3-[(2-methoxyphenyl)methoxyimino]propan-2-ol
CID 10516884
(1Z)-1-[(3-methoxyphenyl)methoxyimino]-3-(propan-2-ylamino)propan-2-ol
CID 100938614
(E)-2-methyl-4-phenyl-N-phenylmethoxybutan-1-imine
CID 134997291
ethyl (4E)-2-ethyl-3-hydroxy-4-phenylmethoxyiminobutanoate
CID 177474730
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
CID 118336506
2-phenylmethoxyiminoacetaldehyde
CID 56611193
benzyl N-[1-(tert-butylamino)-3-oxobutan-2-yl]carbamate
CID 71120050
[(2R,3R,4S)-2,3,4-tribenzoyloxy-5-phenylmethoxyiminopentyl] benzoate
CID 131883942
ethyl (2S,3S,4E)-3-hydroxy-4-phenylmethoxyimino-2-phenylsulfanylbutanoate
CID 25018944
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
CID 10602182

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol?
The IUPAC name of (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol (CID 100938616) is (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol.
What is the SMILES notation for (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol?
The canonical SMILES for (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol is CC(C)(C)NCC(O)/C=N\OCc1ccccc1.
What is the InChIKey of (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol?
The InChIKey is IDLOJPOTQSOTBI-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)15-9-13(17)10-16-18-11-12-7-5-4-6-8-12/h4-8,10,13,15,17H,9,11H2,1-3H3/b16-10-.
What are the key properties of (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol?
(3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(tert-butylamino)-3-phenylmethoxyiminopropan-2-ol is sourced from PubChem (CID 100938616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).