4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride

C9H18ClNO — CID 169224275

IUPAC4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride
SMILESCCOC(C)C1C=CC(N)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-11-7(2)8-4-5-9(10)6-8;/h4-5,7-9H,3,6,10H2,1-2H3;1H
InChIKeyORGZJZINSUKNNJ-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.74
Rot. Bonds3

About 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride

4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride (PubChem CID 169224275) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride
PubChem CID169224275
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride
SMILESCCOC(C)C1C=CC(N)C1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-11-7(2)8-4-5-9(10)6-8;/h4-5,7-9H,3,6,10H2,1-2H3;1H
InChIKeyORGZJZINSUKNNJ-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.74
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 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride?
The IUPAC name of 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride (CID 169224275) is 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride.
What is the SMILES notation for 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride?
The canonical SMILES for 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride is CCOC(C)C1C=CC(N)C1.Cl.
What is the InChIKey of 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride?
The InChIKey is ORGZJZINSUKNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-3-11-7(2)8-4-5-9(10)6-8;/h4-5,7-9H,3,6,10H2,1-2H3;1H.
What are the key properties of 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride?
4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethyl)cyclopent-2-en-1-amine;hydrochloride is sourced from PubChem (CID 169224275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).