(E)-N-(2-methoxyethyl)pent-3-en-1-amine

C8H17NO — CID 62548328

IUPAC(E)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCCOC
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9-7-8-10-2/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyNCBAEGQVIDTTJL-ONEGZZNKSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About (E)-N-(2-methoxyethyl)pent-3-en-1-amine

(E)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 62548328) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID62548328
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCCOC
InChIInChI=1S/C8H17NO/c1-3-4-5-6-9-7-8-10-2/h3-4,9H,5-8H2,1-2H3/b4-3+
InChIKeyNCBAEGQVIDTTJL-ONEGZZNKSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
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 (E)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 62548328) is (E)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2-methoxyethyl)pent-3-en-1-amine is C/C=C/CCNCCOC.
What is the InChIKey of (E)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is NCBAEGQVIDTTJL-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-6-9-7-8-10-2/h3-4,9H,5-8H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(2-methoxyethyl)pent-3-en-1-amine?
(E)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 62548328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).