ethane;2-(2-prop-2-ynoxyethoxy)ethanamine

C9H19NO2 — CID 144801544

IUPACethane;2-(2-prop-2-ynoxyethoxy)ethanamine
SMILESC#CCOCCOCCN.CC
InChIInChI=1S/C7H13NO2.C2H6/c1-2-4-9-6-7-10-5-3-8;1-2/h1H,3-8H2;1-2H3
InChIKeyHVRYPYQMVHPDSQ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.64
Rot. Bonds6

About ethane;2-(2-prop-2-ynoxyethoxy)ethanamine

ethane;2-(2-prop-2-ynoxyethoxy)ethanamine (PubChem CID 144801544) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;2-(2-prop-2-ynoxyethoxy)ethanamine.

Molecular Properties

Compound Nameethane;2-(2-prop-2-ynoxyethoxy)ethanamine
PubChem CID144801544
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;2-(2-prop-2-ynoxyethoxy)ethanamine
SMILESC#CCOCCOCCN.CC
InChIInChI=1S/C7H13NO2.C2H6/c1-2-4-9-6-7-10-5-3-8;1-2/h1H,3-8H2;1-2H3
InChIKeyHVRYPYQMVHPDSQ-UHFFFAOYSA-N
XLogP0.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-(2-prop-2-ynoxyethoxy)ethanamine 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

ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
CID 170719391
CID 172894425
CID 172894425
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
4-prop-2-ynoxybutan-1-amine
CID 126972070
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238
2-but-3-ynoxyethanamine
CID 62343032
N-methyl-2-(2-prop-2-ynoxyethoxy)-N-[2-(2-prop-2-ynoxyethoxy)ethyl]ethanamine
CID 102514803
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
CID 176727323
CID 176727323
2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 155396862
O-(2-prop-2-ynoxyethyl)hydroxylamine;hydrochloride
CID 163342975

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-prop-2-ynoxyethoxy)ethanamine?
The IUPAC name of ethane;2-(2-prop-2-ynoxyethoxy)ethanamine (CID 144801544) is ethane;2-(2-prop-2-ynoxyethoxy)ethanamine.
What is the SMILES notation for ethane;2-(2-prop-2-ynoxyethoxy)ethanamine?
The canonical SMILES for ethane;2-(2-prop-2-ynoxyethoxy)ethanamine is C#CCOCCOCCN.CC.
What is the InChIKey of ethane;2-(2-prop-2-ynoxyethoxy)ethanamine?
The InChIKey is HVRYPYQMVHPDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-2-4-9-6-7-10-5-3-8;1-2/h1H,3-8H2;1-2H3.
What are the key properties of ethane;2-(2-prop-2-ynoxyethoxy)ethanamine?
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine has a molecular weight of 173.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-prop-2-ynoxyethoxy)ethanamine is sourced from PubChem (CID 144801544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).