1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol

C20H30N2O2 — CID 19744136

IUPAC1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)CO/N=C1\CCCC\C1=C\c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)21-14-18(23)15-24-22-19-12-8-7-11-17(19)13-16-9-5-4-6-10-16/h4-6,9-10,13,18,21,23H,7-8,11-12,14-15H2,1-3H3/b17-13-,22-19+
InChIKeyTXANTQZAWZMLJZ-DCPJGFAUSA-N
MW330.47 g/mol
LogP3.77
Rot. Bonds6

About 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol

1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol (PubChem CID 19744136) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
PubChem CID19744136
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)CO/N=C1\CCCC\C1=C\c1ccccc1
InChIInChI=1S/C20H30N2O2/c1-20(2,3)21-14-18(23)15-24-22-19-12-8-7-11-17(19)13-16-9-5-4-6-10-16/h4-6,9-10,13,18,21,23H,7-8,11-12,14-15H2,1-3H3/b17-13-,22-19+
InChIKeyTXANTQZAWZMLJZ-DCPJGFAUSA-N
XLogP3.77
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.77
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'}

Analyze 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-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

N-[2-[(Z)-[(2Z)-2-benzylidenecycloheptylidene]amino]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 50986575
1-(tert-butylamino)-3-(1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino)oxypropan-2-ol
CID 139652527
1-(tert-butylamino)-3-[(E)-3-phenylprop-2-enoxy]propan-2-ol
CID 12797749
1-(tert-butylamino)-3-[(E)-pyridin-3-ylmethylideneamino]oxypropan-2-ol
CID 10848361
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol
CID 574454
1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol
CID 10356679
(2S)-1-[(E)-(7-bromo-2,3-dihydro-1H-1,8-naphthyridin-4-ylidene)amino]oxy-3-(tert-butylamino)propan-2-ol
CID 135430593
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride
CID 13332767
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 21490518
1-(tert-butylamino)-3-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylideneamino]oxypropan-2-ol
CID 3704457

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol (CID 19744136) is 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol is CC(C)(C)NCC(O)CO/N=C1\CCCC\C1=C\c1ccccc1.
What is the InChIKey of 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol?
The InChIKey is TXANTQZAWZMLJZ-DCPJGFAUSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2,3)21-14-18(23)15-24-22-19-12-8-7-11-17(19)13-16-9-5-4-6-10-16/h4-6,9-10,13,18,21,23H,7-8,11-12,14-15H2,1-3H3/b17-13-,22-19+.
What are the key properties of 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol?
1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol has a molecular weight of 330.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(2Z)-2-benzylidenecyclohexylidene]amino]oxy-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 19744136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).