ethanol;octane-1,8-diamine

C10H26N2O — CID 159247635

IUPACethanol;octane-1,8-diamine
SMILESCCO.NCCCCCCCCN
InChIInChI=1S/C8H20N2.C2H6O/c9-7-5-3-1-2-4-6-8-10;1-2-3/h1-10H2;3H,2H2,1H3
InChIKeyKUWNTFVEWNQHLE-UHFFFAOYSA-N
MW190.33 g/mol
LogP1.24
Rot. Bonds7

About ethanol;octane-1,8-diamine

ethanol;octane-1,8-diamine (PubChem CID 159247635) has the molecular formula C10H26N2O and a molecular weight of 190.33 g/mol. Its IUPAC name is ethanol;octane-1,8-diamine.

Molecular Properties

Compound Nameethanol;octane-1,8-diamine
PubChem CID159247635
Molecular FormulaC10H26N2O
Molecular Weight190.33 g/mol
Exact Mass190.20
IUPAC Nameethanol;octane-1,8-diamine
SMILESCCO.NCCCCCCCCN
InChIInChI=1S/C8H20N2.C2H6O/c9-7-5-3-1-2-4-6-8-10;1-2-3/h1-10H2;3H,2H2,1H3
InChIKeyKUWNTFVEWNQHLE-UHFFFAOYSA-N
XLogP1.24
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanol;octane-1,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethanol;octan-1-amine;hydrate
CID 174925866
hexadecan-1-amine;propan-1-ol
CID 174670942
hexane-1,6-diamine;methanamine
CID 174275715
dodecan-1-amine;hydroxylamine
CID 175960605
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
dodecan-1-amine;hexan-1-ol
CID 90011077
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481

Frequently Asked Questions

What is the IUPAC name of ethanol;octane-1,8-diamine?
The IUPAC name of ethanol;octane-1,8-diamine (CID 159247635) is ethanol;octane-1,8-diamine.
What is the SMILES notation for ethanol;octane-1,8-diamine?
The canonical SMILES for ethanol;octane-1,8-diamine is CCO.NCCCCCCCCN.
What is the InChIKey of ethanol;octane-1,8-diamine?
The InChIKey is KUWNTFVEWNQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C2H6O/c9-7-5-3-1-2-4-6-8-10;1-2-3/h1-10H2;3H,2H2,1H3.
What are the key properties of ethanol;octane-1,8-diamine?
ethanol;octane-1,8-diamine has a molecular weight of 190.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;octane-1,8-diamine is sourced from PubChem (CID 159247635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).