(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol

C21H26N2O2 — CID 2146002

IUPAC(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol
SMILESCC(C)CCNC[C@@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-15(2)11-12-22-13-16(24)14-25-23-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,22,24H,11-14H2,1-2H3/t16-/m1/s1
InChIKeyDNKQFWCNDZMVHS-MRXNPFEDSA-N
MW338.45 g/mol
LogP3.43
Rot. Bonds8

About (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol

(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol (PubChem CID 2146002) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol
PubChem CID2146002
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol
SMILESCC(C)CCNC[C@@H](O)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H26N2O2/c1-15(2)11-12-22-13-16(24)14-25-23-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,22,24H,11-14H2,1-2H3/t16-/m1/s1
InChIKeyDNKQFWCNDZMVHS-MRXNPFEDSA-N
XLogP3.43
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 2146004
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
(2R)-2-[[(2S)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]amino]butanedioic acid
CID 2147192
(2S)-2-[[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]azaniumyl]propanoate
CID 2147181
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate
CID 11748451
1-(3,5-dimethylpiperidin-1-yl)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 16896476
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-(fluoren-9-ylideneamino)oxypropan-2-ol
CID 7730801
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
2-(fluoren-9-ylideneamino)oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7697671
(2R)-1-[2-[[(2R)-2-hydroxy-3-(3-methylbutoxy)propyl]amino]ethylamino]-3-(3-methylbutoxy)propan-2-ol
CID 92759286

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol?
The IUPAC name of (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol (CID 2146002) is (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol is CC(C)CCNC[C@@H](O)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol?
The InChIKey is DNKQFWCNDZMVHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15(2)11-12-22-13-16(24)14-25-23-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,22,24H,11-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol?
(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol has a molecular weight of 338.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol is sourced from PubChem (CID 2146002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).