N-ethyl-2-prop-2-enoxyethanamine

C7H15NO — CID 62336850

IUPACN-ethyl-2-prop-2-enoxyethanamine
SMILESC=CCOCCNCC
InChIInChI=1S/C7H15NO/c1-3-6-9-7-5-8-4-2/h3,8H,1,4-7H2,2H3
InChIKeyCRWWQSVFGDCPQT-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.80
Rot. Bonds6

About N-ethyl-2-prop-2-enoxyethanamine

N-ethyl-2-prop-2-enoxyethanamine (PubChem CID 62336850) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-ethyl-2-prop-2-enoxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-prop-2-enoxyethanamine
PubChem CID62336850
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-ethyl-2-prop-2-enoxyethanamine
SMILESC=CCOCCNCC
InChIInChI=1S/C7H15NO/c1-3-6-9-7-5-8-4-2/h3,8H,1,4-7H2,2H3
InChIKeyCRWWQSVFGDCPQT-UHFFFAOYSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-prop-2-enoxyethanamine?
The IUPAC name of N-ethyl-2-prop-2-enoxyethanamine (CID 62336850) is N-ethyl-2-prop-2-enoxyethanamine.
What is the SMILES notation for N-ethyl-2-prop-2-enoxyethanamine?
The canonical SMILES for N-ethyl-2-prop-2-enoxyethanamine is C=CCOCCNCC.
What is the InChIKey of N-ethyl-2-prop-2-enoxyethanamine?
The InChIKey is CRWWQSVFGDCPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6-9-7-5-8-4-2/h3,8H,1,4-7H2,2H3.
What are the key properties of N-ethyl-2-prop-2-enoxyethanamine?
N-ethyl-2-prop-2-enoxyethanamine has a molecular weight of 129.20 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-prop-2-enoxyethanamine is sourced from PubChem (CID 62336850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).