1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol

C17H30N2O2 — CID 574454

IUPAC1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)CON=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H30N2O2/c1-17(2,3)18-9-15(20)10-21-19-16-13-5-11-4-12(7-13)8-14(16)6-11/h11-15,18,20H,4-10H2,1-3H3/b19-16-
InChIKeyFMTLGEMBGMIFEH-MNDPQUGUSA-N
MW294.44 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol

1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol (PubChem CID 574454) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol
PubChem CID574454
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol
SMILESCC(C)(C)NCC(O)CON=C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H30N2O2/c1-17(2,3)18-9-15(20)10-21-19-16-13-5-11-4-12(7-13)8-14(16)6-11/h11-15,18,20H,4-10H2,1-3H3/b19-16-
InChIKeyFMTLGEMBGMIFEH-MNDPQUGUSA-N
XLogP2.56
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol?
The IUPAC name of 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol (CID 574454) is 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol.
What is the SMILES notation for 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol?
The canonical SMILES for 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol is CC(C)(C)NCC(O)CON=C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol?
The InChIKey is FMTLGEMBGMIFEH-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(2,3)18-9-15(20)10-21-19-16-13-5-11-4-12(7-13)8-14(16)6-11/h11-15,18,20H,4-10H2,1-3H3/b19-16-.
What are the key properties of 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol?
1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylideneamino)oxy-3-(tert-butylamino)propan-2-ol is sourced from PubChem (CID 574454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).