8-aminooctane-1,4-diol

C8H19NO2 — CID 123424341

IUPAC8-aminooctane-1,4-diol
SMILESNCCCCC(O)CCCO
InChIInChI=1S/C8H19NO2/c9-6-2-1-4-8(11)5-3-7-10/h8,10-11H,1-7,9H2
InChIKeyLHDCCGFISYRDCI-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.25
Rot. Bonds7

About 8-aminooctane-1,4-diol

8-aminooctane-1,4-diol (PubChem CID 123424341) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 8-aminooctane-1,4-diol.

Molecular Properties

Compound Name8-aminooctane-1,4-diol
PubChem CID123424341
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name8-aminooctane-1,4-diol
SMILESNCCCCC(O)CCCO
InChIInChI=1S/C8H19NO2/c9-6-2-1-4-8(11)5-3-7-10/h8,10-11H,1-7,9H2
InChIKeyLHDCCGFISYRDCI-UHFFFAOYSA-N
XLogP0.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.25
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

(4R)-6-aminohexane-1,4-diol
CID 89292424
tridecane-1,4,13-triol
CID 90439734
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
8-aminooctan-4-ol
CID 146035755
1-aminooctacosan-11-ol
CID 172994921
hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
(4S)-undecane-1,4-diol
CID 98092447
9-amino-5-methylnonan-1-ol
CID 57209196
5-aminopentane-1,2-diol;hydrochloride
CID 86645443

Frequently Asked Questions

What is the IUPAC name of 8-aminooctane-1,4-diol?
The IUPAC name of 8-aminooctane-1,4-diol (CID 123424341) is 8-aminooctane-1,4-diol.
What is the SMILES notation for 8-aminooctane-1,4-diol?
The canonical SMILES for 8-aminooctane-1,4-diol is NCCCCC(O)CCCO.
What is the InChIKey of 8-aminooctane-1,4-diol?
The InChIKey is LHDCCGFISYRDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c9-6-2-1-4-8(11)5-3-7-10/h8,10-11H,1-7,9H2.
What are the key properties of 8-aminooctane-1,4-diol?
8-aminooctane-1,4-diol has a molecular weight of 161.24 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctane-1,4-diol is sourced from PubChem (CID 123424341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).