2-[pent-4-ynyl(propyl)amino]ethanol

C10H19NO — CID 115872793

IUPAC2-[pent-4-ynyl(propyl)amino]ethanol
SMILESC#CCCCN(CCC)CCO
InChIInChI=1S/C10H19NO/c1-3-5-6-8-11(7-4-2)9-10-12/h1,12H,4-10H2,2H3
InChIKeyFKEUGUFBMLWTHT-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds7

About 2-[pent-4-ynyl(propyl)amino]ethanol

2-[pent-4-ynyl(propyl)amino]ethanol (PubChem CID 115872793) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[pent-4-ynyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[pent-4-ynyl(propyl)amino]ethanol
PubChem CID115872793
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[pent-4-ynyl(propyl)amino]ethanol
SMILESC#CCCCN(CCC)CCO
InChIInChI=1S/C10H19NO/c1-3-5-6-8-11(7-4-2)9-10-12/h1,12H,4-10H2,2H3
InChIKeyFKEUGUFBMLWTHT-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[3-fluoropropyl(propyl)amino]ethanol
CID 81113201
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687

Frequently Asked Questions

What is the IUPAC name of 2-[pent-4-ynyl(propyl)amino]ethanol?
The IUPAC name of 2-[pent-4-ynyl(propyl)amino]ethanol (CID 115872793) is 2-[pent-4-ynyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[pent-4-ynyl(propyl)amino]ethanol?
The canonical SMILES for 2-[pent-4-ynyl(propyl)amino]ethanol is C#CCCCN(CCC)CCO.
What is the InChIKey of 2-[pent-4-ynyl(propyl)amino]ethanol?
The InChIKey is FKEUGUFBMLWTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-8-11(7-4-2)9-10-12/h1,12H,4-10H2,2H3.
What are the key properties of 2-[pent-4-ynyl(propyl)amino]ethanol?
2-[pent-4-ynyl(propyl)amino]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pent-4-ynyl(propyl)amino]ethanol is sourced from PubChem (CID 115872793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).