2-[(Z)-hex-3-en-2-yl]oxyethanamine

C8H17NO — CID 126759159

IUPAC2-[(Z)-hex-3-en-2-yl]oxyethanamine
SMILESCC/C=C\C(C)OCCN
InChIInChI=1S/C8H17NO/c1-3-4-5-8(2)10-7-6-9/h4-5,8H,3,6-7,9H2,1-2H3/b5-4-
InChIKeyPOGKTRUVIHBFJP-PLNGDYQASA-N
MW143.23 g/mol
LogP1.32
Rot. Bonds5

About 2-[(Z)-hex-3-en-2-yl]oxyethanamine

2-[(Z)-hex-3-en-2-yl]oxyethanamine (PubChem CID 126759159) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(Z)-hex-3-en-2-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(Z)-hex-3-en-2-yl]oxyethanamine
PubChem CID126759159
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(Z)-hex-3-en-2-yl]oxyethanamine
SMILESCC/C=C\C(C)OCCN
InChIInChI=1S/C8H17NO/c1-3-4-5-8(2)10-7-6-9/h4-5,8H,3,6-7,9H2,1-2H3/b5-4-
InChIKeyPOGKTRUVIHBFJP-PLNGDYQASA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hex-3-en-2-yl]oxyethanamine?
The IUPAC name of 2-[(Z)-hex-3-en-2-yl]oxyethanamine (CID 126759159) is 2-[(Z)-hex-3-en-2-yl]oxyethanamine.
What is the SMILES notation for 2-[(Z)-hex-3-en-2-yl]oxyethanamine?
The canonical SMILES for 2-[(Z)-hex-3-en-2-yl]oxyethanamine is CC/C=C\C(C)OCCN.
What is the InChIKey of 2-[(Z)-hex-3-en-2-yl]oxyethanamine?
The InChIKey is POGKTRUVIHBFJP-PLNGDYQASA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-5-8(2)10-7-6-9/h4-5,8H,3,6-7,9H2,1-2H3/b5-4-.
What are the key properties of 2-[(Z)-hex-3-en-2-yl]oxyethanamine?
2-[(Z)-hex-3-en-2-yl]oxyethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hex-3-en-2-yl]oxyethanamine is sourced from PubChem (CID 126759159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).