2-[propyl-[3-(propylamino)propyl]amino]ethanol

C11H26N2O — CID 61424800

IUPAC2-[propyl-[3-(propylamino)propyl]amino]ethanol
SMILESCCCNCCCN(CCC)CCO
InChIInChI=1S/C11H26N2O/c1-3-6-12-7-5-9-13(8-4-2)10-11-14/h12,14H,3-11H2,1-2H3
InChIKeyODHQILQFEYWBMY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds10

About 2-[propyl-[3-(propylamino)propyl]amino]ethanol

2-[propyl-[3-(propylamino)propyl]amino]ethanol (PubChem CID 61424800) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[propyl-[3-(propylamino)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[propyl-[3-(propylamino)propyl]amino]ethanol
PubChem CID61424800
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[propyl-[3-(propylamino)propyl]amino]ethanol
SMILESCCCNCCCN(CCC)CCO
InChIInChI=1S/C11H26N2O/c1-3-6-12-7-5-9-13(8-4-2)10-11-14/h12,14H,3-11H2,1-2H3
InChIKeyODHQILQFEYWBMY-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
CID 87517787
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
4-[propyl-[3-(propylamino)propyl]amino]butan-2-one
CID 118673927
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
CID 134519108
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
N'-[2-(dimethylamino)ethyl]-N,N'-dipropylbutane-1,4-diamine
CID 62436376
2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
CID 168932712
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220

Frequently Asked Questions

What is the IUPAC name of 2-[propyl-[3-(propylamino)propyl]amino]ethanol?
The IUPAC name of 2-[propyl-[3-(propylamino)propyl]amino]ethanol (CID 61424800) is 2-[propyl-[3-(propylamino)propyl]amino]ethanol.
What is the SMILES notation for 2-[propyl-[3-(propylamino)propyl]amino]ethanol?
The canonical SMILES for 2-[propyl-[3-(propylamino)propyl]amino]ethanol is CCCNCCCN(CCC)CCO.
What is the InChIKey of 2-[propyl-[3-(propylamino)propyl]amino]ethanol?
The InChIKey is ODHQILQFEYWBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-3-6-12-7-5-9-13(8-4-2)10-11-14/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-[propyl-[3-(propylamino)propyl]amino]ethanol?
2-[propyl-[3-(propylamino)propyl]amino]ethanol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl-[3-(propylamino)propyl]amino]ethanol is sourced from PubChem (CID 61424800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).