2-but-3-ynoxyethanamine

C6H11NO — CID 62343032

IUPAC2-but-3-ynoxyethanamine
SMILESC#CCCOCCN
InChIInChI=1S/C6H11NO/c1-2-3-5-8-6-4-7/h1H,3-7H2
InChIKeyWUOZVGWFNFOOOX-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds4

About 2-but-3-ynoxyethanamine

2-but-3-ynoxyethanamine (PubChem CID 62343032) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-but-3-ynoxyethanamine.

Molecular Properties

Compound Name2-but-3-ynoxyethanamine
PubChem CID62343032
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-but-3-ynoxyethanamine
SMILESC#CCCOCCN
InChIInChI=1S/C6H11NO/c1-2-3-5-8-6-4-7/h1H,3-7H2
InChIKeyWUOZVGWFNFOOOX-UHFFFAOYSA-N
XLogP-0.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.01
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-(2-Propynyloxy)ethylamine
CID 18356755
2-(2-(2-Propynyloxy)ethoxy)ethylamine
CID 55219291
1-Methoxybut-3-yn-2-amine
CID 65576188
2-(Prop-2-yn-1-yloxy)ethan-1-amine hydrochloride
CID 75480711
1-Methoxypent-4-yn-2-amine
CID 62234072
2-Methoxybut-3-yn-1-amine hydrochloride
CID 165588671
2-(But-3-yn-1-yloxy)ethan-1-amine hydrochloride
CID 165746124
2-(Pent-4-yn-1-yloxy)ethan-1-amine hydrochloride
CID 165949246
(2S)-1-(prop-2-yn-1-yloxy)propan-2-amine hydrochloride
CID 177798176
(2R)-1-(prop-2-yn-1-yloxy)propan-2-amine hydrochloride
CID 177800371
3-(Prop-2-yn-1-yloxy)propan-1-amine
CID 58683998
2-Methoxybut-3-yn-1-amine
CID 165588672

Frequently Asked Questions

What is the IUPAC name of 2-but-3-ynoxyethanamine?
The IUPAC name of 2-but-3-ynoxyethanamine (CID 62343032) is 2-but-3-ynoxyethanamine.
What is the SMILES notation for 2-but-3-ynoxyethanamine?
The canonical SMILES for 2-but-3-ynoxyethanamine is C#CCCOCCN.
What is the InChIKey of 2-but-3-ynoxyethanamine?
The InChIKey is WUOZVGWFNFOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-5-8-6-4-7/h1H,3-7H2.
What are the key properties of 2-but-3-ynoxyethanamine?
2-but-3-ynoxyethanamine has a molecular weight of 113.16 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-ynoxyethanamine is sourced from PubChem (CID 62343032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).