2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine

C14H34N2O2 — CID 161423739

IUPAC2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
SMILESCCCCCNCCCCC.OCCNCCO
InChIInChI=1S/C10H23N.C4H11NO2/c1-3-5-7-9-11-10-8-6-4-2;6-3-1-5-2-4-7/h11H,3-10H2,1-2H3;5-7H,1-4H2
InChIKeyVXBSTDRFNPROMY-UHFFFAOYSA-N
MW262.44 g/mol
LogP1.52
Rot. Bonds12

About 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine

2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine (PubChem CID 161423739) has the molecular formula C14H34N2O2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
PubChem CID161423739
Molecular FormulaC14H34N2O2
Molecular Weight262.44 g/mol
Exact Mass262.26
IUPAC Name2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
SMILESCCCCCNCCCCC.OCCNCCO
InChIInChI=1S/C10H23N.C4H11NO2/c1-3-5-7-9-11-10-8-6-4-2;6-3-1-5-2-4-7/h11H,3-10H2,1-2H3;5-7H,1-4H2
InChIKeyVXBSTDRFNPROMY-UHFFFAOYSA-N
XLogP1.52
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethanesulfonic acid;2-(octadecylamino)ethanol
CID 20512907
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
8-(undecylamino)octan-1-ol
CID 139305047
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
N-butylbutan-1-amine;propan-1-ol
CID 174657089
2-aminoethanol;N-octyloctan-1-amine
CID 158421885
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-pentylpentan-1-amine;sulfane
CID 173223078
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine (CID 161423739) is 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine is CCCCCNCCCCC.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine?
The InChIKey is VXBSTDRFNPROMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C4H11NO2/c1-3-5-7-9-11-10-8-6-4-2;6-3-1-5-2-4-7/h11H,3-10H2,1-2H3;5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine?
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 1.52, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine is sourced from PubChem (CID 161423739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).