4-aminononane-1,1,1,2,2,3,3,4-octol

C9H21NO8 — CID 90384650

IUPAC4-aminononane-1,1,1,2,2,3,3,4-octol
SMILESCCCCCC(N)(O)C(O)(O)C(O)(O)C(O)(O)O
InChIInChI=1S/C9H21NO8/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h11-18H,2-5,10H2,1H3
InChIKeyRELCXNIBBLAHPN-UHFFFAOYSA-N
MW271.27 g/mol
LogP-3.79
Rot. Bonds7

About 4-aminononane-1,1,1,2,2,3,3,4-octol

4-aminononane-1,1,1,2,2,3,3,4-octol (PubChem CID 90384650) has the molecular formula C9H21NO8 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-aminononane-1,1,1,2,2,3,3,4-octol.

Molecular Properties

Compound Name4-aminononane-1,1,1,2,2,3,3,4-octol
PubChem CID90384650
Molecular FormulaC9H21NO8
Molecular Weight271.27 g/mol
Exact Mass271.13
IUPAC Name4-aminononane-1,1,1,2,2,3,3,4-octol
SMILESCCCCCC(N)(O)C(O)(O)C(O)(O)C(O)(O)O
InChIInChI=1S/C9H21NO8/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h11-18H,2-5,10H2,1H3
InChIKeyRELCXNIBBLAHPN-UHFFFAOYSA-N
XLogP-3.79
TPSA187.86 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.27
LogP ≤ 5-3.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-aminoundecane-1,1-diol
CID 21111671
1,1-diaminooctan-1-ol
CID 20507531
octane-3,3-diol
CID 157318438
2,2-dibutylheptane-1,1,1-triol
CID 19424783
6,7-dipentyldodecane-6,7-diamine
CID 23346628
nonane-3,3-diol
CID 22472104
3-amino-2-tetradecylpentane-1,2,3-triol
CID 54385531
2-amino-3,3-dimethyltridecan-2-ol
CID 175034140
2-amino-3,3-dimethylicosan-2-ol
CID 18539595
triacontane-1,1,1-triol
CID 87376487

Frequently Asked Questions

What is the IUPAC name of 4-aminononane-1,1,1,2,2,3,3,4-octol?
The IUPAC name of 4-aminononane-1,1,1,2,2,3,3,4-octol (CID 90384650) is 4-aminononane-1,1,1,2,2,3,3,4-octol.
What is the SMILES notation for 4-aminononane-1,1,1,2,2,3,3,4-octol?
The canonical SMILES for 4-aminononane-1,1,1,2,2,3,3,4-octol is CCCCCC(N)(O)C(O)(O)C(O)(O)C(O)(O)O.
What is the InChIKey of 4-aminononane-1,1,1,2,2,3,3,4-octol?
The InChIKey is RELCXNIBBLAHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO8/c1-2-3-4-5-6(10,11)7(12,13)8(14,15)9(16,17)18/h11-18H,2-5,10H2,1H3.
What are the key properties of 4-aminononane-1,1,1,2,2,3,3,4-octol?
4-aminononane-1,1,1,2,2,3,3,4-octol has a molecular weight of 271.27 g/mol, XLogP of -3.79, 7 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminononane-1,1,1,2,2,3,3,4-octol is sourced from PubChem (CID 90384650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).