4-aminononane-1,9-diol

C9H21NO2 — CID 54004768

IUPAC4-aminononane-1,9-diol
SMILESNC(CCCO)CCCCCO
InChIInChI=1S/C9H21NO2/c10-9(6-4-8-12)5-2-1-3-7-11/h9,11-12H,1-8,10H2
InChIKeyWIMJMHCLODTGBF-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.64
Rot. Bonds8

About 4-aminononane-1,9-diol

4-aminononane-1,9-diol (PubChem CID 54004768) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-aminononane-1,9-diol.

Molecular Properties

Compound Name4-aminononane-1,9-diol
PubChem CID54004768
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name4-aminononane-1,9-diol
SMILESNC(CCCO)CCCCCO
InChIInChI=1S/C9H21NO2/c10-9(6-4-8-12)5-2-1-3-7-11/h9,11-12H,1-8,10H2
InChIKeyWIMJMHCLODTGBF-UHFFFAOYSA-N
XLogP0.64
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tridecane-1,4,13-triol
CID 90439734
5-aminooct-7-en-1-ol
CID 130023332
3-amino-12-hydroxydodecanoic acid
CID 146253643
1-aminoheptane-1,2,7-triol
CID 87845993
3-amino-6-hydroxyhexane-1-sulfonic acid
CID 54526006
2-amino-6-hydroxyhexane-1-sulfonic acid
CID 175063690
hexacosane-1,8,19,26-tetrol
CID 167004997
heptacosane-1,10,27-triol
CID 56980866
hexadecane-1,8,16-triol
CID 11403100

Frequently Asked Questions

What is the IUPAC name of 4-aminononane-1,9-diol?
The IUPAC name of 4-aminononane-1,9-diol (CID 54004768) is 4-aminononane-1,9-diol.
What is the SMILES notation for 4-aminononane-1,9-diol?
The canonical SMILES for 4-aminononane-1,9-diol is NC(CCCO)CCCCCO.
What is the InChIKey of 4-aminononane-1,9-diol?
The InChIKey is WIMJMHCLODTGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c10-9(6-4-8-12)5-2-1-3-7-11/h9,11-12H,1-8,10H2.
What are the key properties of 4-aminononane-1,9-diol?
4-aminononane-1,9-diol has a molecular weight of 175.27 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminononane-1,9-diol is sourced from PubChem (CID 54004768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).