5-ethoxy-2-methylpent-3-yn-2-amine

C8H15NO — CID 21078414

IUPAC5-ethoxy-2-methylpent-3-yn-2-amine
SMILESCCOCC#CC(C)(C)N
InChIInChI=1S/C8H15NO/c1-4-10-7-5-6-8(2,3)9/h4,7,9H2,1-3H3
InChIKeySTGSSTDQKKMTRU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.76
Rot. Bonds2

About 5-ethoxy-2-methylpent-3-yn-2-amine

5-ethoxy-2-methylpent-3-yn-2-amine (PubChem CID 21078414) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-ethoxy-2-methylpent-3-yn-2-amine.

Molecular Properties

Compound Name5-ethoxy-2-methylpent-3-yn-2-amine
PubChem CID21078414
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-ethoxy-2-methylpent-3-yn-2-amine
SMILESCCOCC#CC(C)(C)N
InChIInChI=1S/C8H15NO/c1-4-10-7-5-6-8(2,3)9/h4,7,9H2,1-3H3
InChIKeySTGSSTDQKKMTRU-UHFFFAOYSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.76
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'}

Analyze 5-ethoxy-2-methylpent-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-ethoxybut-2-yne
CID 55302777
2-methyl-5-prop-2-ynoxypent-3-yn-2-ol
CID 71370387
potassium;ethoxyethane;2-methylpropan-2-olate
CID 131710289
triethoxy(3-ethoxyprop-1-ynyl)silane
CID 139978047
3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yn-1-amine
CID 87250707
[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
CID 10726996
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pent-2-yne
CID 164933181
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile
CID 103489757
ethoxyethane;hydroxylamine
CID 135816400

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methylpent-3-yn-2-amine?
The IUPAC name of 5-ethoxy-2-methylpent-3-yn-2-amine (CID 21078414) is 5-ethoxy-2-methylpent-3-yn-2-amine.
What is the SMILES notation for 5-ethoxy-2-methylpent-3-yn-2-amine?
The canonical SMILES for 5-ethoxy-2-methylpent-3-yn-2-amine is CCOCC#CC(C)(C)N.
What is the InChIKey of 5-ethoxy-2-methylpent-3-yn-2-amine?
The InChIKey is STGSSTDQKKMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-10-7-5-6-8(2,3)9/h4,7,9H2,1-3H3.
What are the key properties of 5-ethoxy-2-methylpent-3-yn-2-amine?
5-ethoxy-2-methylpent-3-yn-2-amine has a molecular weight of 141.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methylpent-3-yn-2-amine is sourced from PubChem (CID 21078414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).