ethanol;octan-1-amine;hydrate

C10H27NO2 — CID 174925866

IUPACethanol;octan-1-amine;hydrate
SMILESCCCCCCCCN.CCO.O
InChIInChI=1S/C8H19N.C2H6O.H2O/c1-2-3-4-5-6-7-8-9;1-2-3;/h2-9H2,1H3;3H,2H2,1H3;1H2
InChIKeyCRMXKFAOHDKNDC-UHFFFAOYSA-N
MW193.33 g/mol
LogP1.48
Rot. Bonds6

About ethanol;octan-1-amine;hydrate

ethanol;octan-1-amine;hydrate (PubChem CID 174925866) has the molecular formula C10H27NO2 and a molecular weight of 193.33 g/mol. Its IUPAC name is ethanol;octan-1-amine;hydrate.

Molecular Properties

Compound Nameethanol;octan-1-amine;hydrate
PubChem CID174925866
Molecular FormulaC10H27NO2
Molecular Weight193.33 g/mol
Exact Mass193.20
IUPAC Nameethanol;octan-1-amine;hydrate
SMILESCCCCCCCCN.CCO.O
InChIInChI=1S/C8H19N.C2H6O.H2O/c1-2-3-4-5-6-7-8-9;1-2-3;/h2-9H2,1H3;3H,2H2,1H3;1H2
InChIKeyCRMXKFAOHDKNDC-UHFFFAOYSA-N
XLogP1.48
TPSA77.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

nonan-1-amine;dihydrate
CID 174770026
octadecan-1-amine;hydrate
CID 158026408
hexan-1-amine;dihydrate
CID 174459608
hexadecan-1-amine;propan-1-ol
CID 174670942
dodecan-1-amine;hydroxylamine
CID 175960605
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
ethanol;octane-1,8-diamine
CID 159247635
dotetracontan-1-amine
CID 14550497
dodecan-1-amine;hexan-1-ol
CID 90011077

Frequently Asked Questions

What is the IUPAC name of ethanol;octan-1-amine;hydrate?
The IUPAC name of ethanol;octan-1-amine;hydrate (CID 174925866) is ethanol;octan-1-amine;hydrate.
What is the SMILES notation for ethanol;octan-1-amine;hydrate?
The canonical SMILES for ethanol;octan-1-amine;hydrate is CCCCCCCCN.CCO.O.
What is the InChIKey of ethanol;octan-1-amine;hydrate?
The InChIKey is CRMXKFAOHDKNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C2H6O.H2O/c1-2-3-4-5-6-7-8-9;1-2-3;/h2-9H2,1H3;3H,2H2,1H3;1H2.
What are the key properties of ethanol;octan-1-amine;hydrate?
ethanol;octan-1-amine;hydrate has a molecular weight of 193.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;octan-1-amine;hydrate is sourced from PubChem (CID 174925866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).