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

C14H28N2O4 — CID 10446830

IUPAC1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CO/N=C1\CCCCC1(CO)CO
InChIInChI=1S/C14H28N2O4/c1-11(2)15-7-12(19)8-20-16-13-5-3-4-6-14(13,9-17)10-18/h11-12,15,17-19H,3-10H2,1-2H3/b16-13+
InChIKeyYZHKNJKHLMWSRB-DTQAZKPQSA-N
MW288.39 g/mol
LogP0.26
Rot. Bonds8

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

1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10446830) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID10446830
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CO/N=C1\CCCCC1(CO)CO
InChIInChI=1S/C14H28N2O4/c1-11(2)15-7-12(19)8-20-16-13-5-3-4-6-14(13,9-17)10-18/h11-12,15,17-19H,3-10H2,1-2H3/b16-13+
InChIKeyYZHKNJKHLMWSRB-DTQAZKPQSA-N
XLogP0.26
TPSA94.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

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
1-(tert-butylamino)-3-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxypropan-2-ol
CID 10356679
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-[(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-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (CID 10446830) is 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CO/N=C1\CCCCC1(CO)CO.
What is the InChIKey of 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is YZHKNJKHLMWSRB-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-11(2)15-7-12(19)8-20-16-13-5-3-4-6-14(13,9-17)10-18/h11-12,15,17-19H,3-10H2,1-2H3/b16-13+.
What are the key properties of 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2,2-bis(hydroxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10446830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).