2-(hexylideneamino)ethanol

C8H17NO — CID 130130159

IUPAC2-(hexylideneamino)ethanol
SMILESCCCCC/C=N/CCO
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h6,10H,2-5,7-8H2,1H3/b9-6+
InChIKeyALNWTRJFXRAOQE-RMKNXTFCSA-N
MW143.23 g/mol
LogP1.63
Rot. Bonds6

About 2-(hexylideneamino)ethanol

2-(hexylideneamino)ethanol (PubChem CID 130130159) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(hexylideneamino)ethanol.

Molecular Properties

Compound Name2-(hexylideneamino)ethanol
PubChem CID130130159
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(hexylideneamino)ethanol
SMILESCCCCC/C=N/CCO
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h6,10H,2-5,7-8H2,1H3/b9-6+
InChIKeyALNWTRJFXRAOQE-RMKNXTFCSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N,N'-didecylpentane-1,5-diimine
CID 118371796
N-methyloctadecan-1-imine
CID 54409483
N-(3-trimethoxysilylpropyl)hexan-1-imine
CID 87448623
(NE)-N-octylidenehydroxylamine
CID 5385260
heptadec-3-en-1-ol
CID 86130004
(E)-heptadec-3-en-1-ol
CID 170849265
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N'-[3-(octadecylideneamino)propyl]propane-1,3-diamine
CID 57277505

Frequently Asked Questions

What is the IUPAC name of 2-(hexylideneamino)ethanol?
The IUPAC name of 2-(hexylideneamino)ethanol (CID 130130159) is 2-(hexylideneamino)ethanol.
What is the SMILES notation for 2-(hexylideneamino)ethanol?
The canonical SMILES for 2-(hexylideneamino)ethanol is CCCCC/C=N/CCO.
What is the InChIKey of 2-(hexylideneamino)ethanol?
The InChIKey is ALNWTRJFXRAOQE-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h6,10H,2-5,7-8H2,1H3/b9-6+.
What are the key properties of 2-(hexylideneamino)ethanol?
2-(hexylideneamino)ethanol has a molecular weight of 143.23 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylideneamino)ethanol is sourced from PubChem (CID 130130159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).