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

C8H15NO — CID 115872742

IUPAC2-[methyl(pent-4-ynyl)amino]ethanol
SMILESC#CCCCN(C)CCO
InChIInChI=1S/C8H15NO/c1-3-4-5-6-9(2)7-8-10/h1,10H,4-8H2,2H3
InChIKeyJHKFUCPOJZLAMG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.32
Rot. Bonds5

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

2-[methyl(pent-4-ynyl)amino]ethanol (PubChem CID 115872742) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[methyl(pent-4-ynyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(pent-4-ynyl)amino]ethanol
PubChem CID115872742
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[methyl(pent-4-ynyl)amino]ethanol
SMILESC#CCCCN(C)CCO
InChIInChI=1S/C8H15NO/c1-3-4-5-6-9(2)7-8-10/h1,10H,4-8H2,2H3
InChIKeyJHKFUCPOJZLAMG-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.32
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

N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
2-[pent-4-ynyl(propyl)amino]ethanol
CID 115872793
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
CID 115872924
2-[methyl(pent-4-ynyl)amino]acetamide
CID 115872776
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
2-[methyl(pent-3-ynyl)amino]ethanol
CID 104744034
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pent-4-ynyl)amino]ethanol?
The IUPAC name of 2-[methyl(pent-4-ynyl)amino]ethanol (CID 115872742) is 2-[methyl(pent-4-ynyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(pent-4-ynyl)amino]ethanol?
The canonical SMILES for 2-[methyl(pent-4-ynyl)amino]ethanol is C#CCCCN(C)CCO.
What is the InChIKey of 2-[methyl(pent-4-ynyl)amino]ethanol?
The InChIKey is JHKFUCPOJZLAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-9(2)7-8-10/h1,10H,4-8H2,2H3.
What are the key properties of 2-[methyl(pent-4-ynyl)amino]ethanol?
2-[methyl(pent-4-ynyl)amino]ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pent-4-ynyl)amino]ethanol is sourced from PubChem (CID 115872742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).