2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine

C12H19NO — CID 143306531

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine
SMILESC=C/C=C(\C=C)COC1CCCC1N
InChIInChI=1S/C12H19NO/c1-3-6-10(4-2)9-14-12-8-5-7-11(12)13/h3-4,6,11-12H,1-2,5,7-9,13H2/b10-6+
InChIKeyMUWMIOGSJVHJDP-UXBLZVDNSA-N
MW193.29 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine

2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine (PubChem CID 143306531) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine
PubChem CID143306531
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine
SMILESC=C/C=C(\C=C)COC1CCCC1N
InChIInChI=1S/C12H19NO/c1-3-6-10(4-2)9-14-12-8-5-7-11(12)13/h3-4,6,11-12H,1-2,5,7-9,13H2/b10-6+
InChIKeyMUWMIOGSJVHJDP-UXBLZVDNSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]cyclopentan-1-amine
CID 143585699
2-(3-Methylbut-2-enoxy)cyclopentan-1-amine
CID 104284928
2-[(E)-but-2-enoxy]cyclopentan-1-amine
CID 104284929
2-(2-Methylidenebutoxy)cyclopentan-1-amine
CID 104285091
2-But-3-en-2-yloxycyclopentan-1-amine
CID 104285157

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine (CID 143306531) is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine is C=C/C=C(\C=C)COC1CCCC1N.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine?
The InChIKey is MUWMIOGSJVHJDP-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-6-10(4-2)9-14-12-8-5-7-11(12)13/h3-4,6,11-12H,1-2,5,7-9,13H2/b10-6+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine?
2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]cyclopentan-1-amine is sourced from PubChem (CID 143306531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).