2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine

C12H23NO3 — CID 178103641

IUPAC2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine
SMILESCC1(C)C=C1COCCOCCOCCN
InChIInChI=1S/C12H23NO3/c1-12(2)9-11(12)10-16-8-7-15-6-5-14-4-3-13/h9H,3-8,10,13H2,1-2H3
InChIKeyMQPQQQZEQYAHRA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.96
Rot. Bonds10

About 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine (PubChem CID 178103641) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine
PubChem CID178103641
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine
SMILESCC1(C)C=C1COCCOCCOCCN
InChIInChI=1S/C12H23NO3/c1-12(2)9-11(12)10-16-8-7-15-6-5-14-4-3-13/h9H,3-8,10,13H2,1-2H3
InChIKeyMQPQQQZEQYAHRA-UHFFFAOYSA-N
XLogP0.96
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
ethane;2-phenylmethoxyethanamine
CID 142016503
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
2-(2-aminoethoxy)ethylazanium
CID 154027199
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine (CID 178103641) is 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine is CC1(C)C=C1COCCOCCOCCN.
What is the InChIKey of 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is MQPQQQZEQYAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)9-11(12)10-16-8-7-15-6-5-14-4-3-13/h9H,3-8,10,13H2,1-2H3.
What are the key properties of 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 229.32 g/mol, XLogP of 0.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(3,3-dimethylcyclopropen-1-yl)methoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 178103641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).