1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

C13H26N2O3 — CID 10355171

IUPAC1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CO/N=C1\CCCCC1CO
InChIInChI=1S/C13H26N2O3/c1-10(2)14-7-12(17)9-18-15-13-6-4-3-5-11(13)8-16/h10-12,14,16-17H,3-9H2,1-2H3/b15-13+
InChIKeyMTLAUFAVMMPXMC-FYWRMAATSA-N
MW258.36 g/mol
LogP0.90
Rot. Bonds7

About 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10355171) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID10355171
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CO/N=C1\CCCCC1CO
InChIInChI=1S/C13H26N2O3/c1-10(2)14-7-12(17)9-18-15-13-6-4-3-5-11(13)8-16/h10-12,14,16-17H,3-9H2,1-2H3/b15-13+
InChIKeyMTLAUFAVMMPXMC-FYWRMAATSA-N
XLogP0.90
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.90
H-Bond Donors ≤ 53
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-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (CID 10355171) is 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CO/N=C1\CCCCC1CO.
What is the InChIKey of 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MTLAUFAVMMPXMC-FYWRMAATSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(2)14-7-12(17)9-18-15-13-6-4-3-5-11(13)8-16/h10-12,14,16-17H,3-9H2,1-2H3/b15-13+.
What are the key properties of 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 258.36 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2-(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10355171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).