2-[methyl(pent-3-ynyl)amino]ethanol

C8H15NO — CID 104744034

IUPAC2-[methyl(pent-3-ynyl)amino]ethanol
SMILESCC#CCCN(C)CCO
InChIInChI=1S/C8H15NO/c1-3-4-5-6-9(2)7-8-10/h10H,5-8H2,1-2H3
InChIKeyAEYSIKRSAQJONF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.32
Rot. Bonds4

About 2-[methyl(pent-3-ynyl)amino]ethanol

2-[methyl(pent-3-ynyl)amino]ethanol (PubChem CID 104744034) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-[methyl(pent-3-ynyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(pent-3-ynyl)amino]ethanol
PubChem CID104744034
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-[methyl(pent-3-ynyl)amino]ethanol
SMILESCC#CCCN(C)CCO
InChIInChI=1S/C8H15NO/c1-3-4-5-6-9(2)7-8-10/h10H,5-8H2,1-2H3
InChIKeyAEYSIKRSAQJONF-UHFFFAOYSA-N
XLogP0.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
CID 104809119
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol
CID 104810193
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
N-benzyl-N-methylpent-3-yn-1-amine
CID 145321496
2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
2-[2-hydroxyethyl(methyl)amino]ethanol;sulfamic acid
CID 174686265
2-[ethyl(methyl)amino]ethanol;hydrate
CID 174397905

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pent-3-ynyl)amino]ethanol?
The IUPAC name of 2-[methyl(pent-3-ynyl)amino]ethanol (CID 104744034) is 2-[methyl(pent-3-ynyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(pent-3-ynyl)amino]ethanol?
The canonical SMILES for 2-[methyl(pent-3-ynyl)amino]ethanol is CC#CCCN(C)CCO.
What is the InChIKey of 2-[methyl(pent-3-ynyl)amino]ethanol?
The InChIKey is AEYSIKRSAQJONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-9(2)7-8-10/h10H,5-8H2,1-2H3.
What are the key properties of 2-[methyl(pent-3-ynyl)amino]ethanol?
2-[methyl(pent-3-ynyl)amino]ethanol has a molecular weight of 141.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pent-3-ynyl)amino]ethanol is sourced from PubChem (CID 104744034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).