[cyclopentyl(ethoxy)methylidene]azanium

C8H16NO+ — CID 168849098

IUPAC[cyclopentyl(ethoxy)methylidene]azanium
SMILESCCOC(=[NH2+])C1CCCC1
InChIInChI=1S/C8H15NO/c1-2-10-8(9)7-5-3-4-6-7/h7,9H,2-6H2,1H3/p+1
InChIKeyWECYHPUCTSHISD-UHFFFAOYSA-O
MW142.22 g/mol
LogP0.37
Rot. Bonds2

About [cyclopentyl(ethoxy)methylidene]azanium

[cyclopentyl(ethoxy)methylidene]azanium (PubChem CID 168849098) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is [cyclopentyl(ethoxy)methylidene]azanium.

Molecular Properties

Compound Name[cyclopentyl(ethoxy)methylidene]azanium
PubChem CID168849098
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name[cyclopentyl(ethoxy)methylidene]azanium
SMILESCCOC(=[NH2+])C1CCCC1
InChIInChI=1S/C8H15NO/c1-2-10-8(9)7-5-3-4-6-7/h7,9H,2-6H2,1H3/p+1
InChIKeyWECYHPUCTSHISD-UHFFFAOYSA-O
XLogP0.37
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclopentyl(ethoxy)methylidene]azanium?
The IUPAC name of [cyclopentyl(ethoxy)methylidene]azanium (CID 168849098) is [cyclopentyl(ethoxy)methylidene]azanium.
What is the SMILES notation for [cyclopentyl(ethoxy)methylidene]azanium?
The canonical SMILES for [cyclopentyl(ethoxy)methylidene]azanium is CCOC(=[NH2+])C1CCCC1.
What is the InChIKey of [cyclopentyl(ethoxy)methylidene]azanium?
The InChIKey is WECYHPUCTSHISD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-2-10-8(9)7-5-3-4-6-7/h7,9H,2-6H2,1H3/p+1.
What are the key properties of [cyclopentyl(ethoxy)methylidene]azanium?
[cyclopentyl(ethoxy)methylidene]azanium has a molecular weight of 142.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl(ethoxy)methylidene]azanium is sourced from PubChem (CID 168849098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).