2-(hex-2-enylamino)ethanol

C8H17NO — CID 173239159

IUPAC2-(hex-2-enylamino)ethanol
SMILESCCCC=CCNCCO
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyBQTLQHWTMXUBCY-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds6

About 2-(hex-2-enylamino)ethanol

2-(hex-2-enylamino)ethanol (PubChem CID 173239159) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(hex-2-enylamino)ethanol.

Molecular Properties

Compound Name2-(hex-2-enylamino)ethanol
PubChem CID173239159
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(hex-2-enylamino)ethanol
SMILESCCCC=CCNCCO
InChIInChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyBQTLQHWTMXUBCY-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol
CID 101275171
N-butyl-N'-hex-2-enylmethanediamine
CID 123196716
N-methylhex-2-en-1-amine
CID 85238647
2-(2-hydroxyethylamino)ethoxy-[(E)-oct-4-enyl]borinic acid
CID 154810090
N-hex-2-enylformamide
CID 54372150
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
ethane;(E)-oct-4-ene
CID 142055407
(4Z,8E)-dodeca-4,8-diene
CID 12576906
(4E,8E)-dodeca-4,8-diene
CID 12576905
2-(propylamino)ethanol;hydrobromide
CID 175488073
(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
methyl (Z)-4-(2-hydroxyethylamino)but-2-enoate
CID 59367923

Frequently Asked Questions

What is the IUPAC name of 2-(hex-2-enylamino)ethanol?
The IUPAC name of 2-(hex-2-enylamino)ethanol (CID 173239159) is 2-(hex-2-enylamino)ethanol.
What is the SMILES notation for 2-(hex-2-enylamino)ethanol?
The canonical SMILES for 2-(hex-2-enylamino)ethanol is CCCC=CCNCCO.
What is the InChIKey of 2-(hex-2-enylamino)ethanol?
The InChIKey is BQTLQHWTMXUBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-5-6-9-7-8-10/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 2-(hex-2-enylamino)ethanol?
2-(hex-2-enylamino)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-2-enylamino)ethanol is sourced from PubChem (CID 173239159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).