1-(propoxymethyl)cyclopentan-1-amine

C9H19NO — CID 11693941

IUPAC1-(propoxymethyl)cyclopentan-1-amine
SMILESCCCOCC1(N)CCCC1
InChIInChI=1S/C9H19NO/c1-2-7-11-8-9(10)5-3-4-6-9/h2-8,10H2,1H3
InChIKeyISZDCZBVXFMEOD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds4

About 1-(propoxymethyl)cyclopentan-1-amine

1-(propoxymethyl)cyclopentan-1-amine (PubChem CID 11693941) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(propoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(propoxymethyl)cyclopentan-1-amine
PubChem CID11693941
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(propoxymethyl)cyclopentan-1-amine
SMILESCCCOCC1(N)CCCC1
InChIInChI=1S/C9H19NO/c1-2-7-11-8-9(10)5-3-4-6-9/h2-8,10H2,1H3
InChIKeyISZDCZBVXFMEOD-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(propoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(propoxymethyl)cyclopentan-1-amine (CID 11693941) is 1-(propoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(propoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(propoxymethyl)cyclopentan-1-amine is CCCOCC1(N)CCCC1.
What is the InChIKey of 1-(propoxymethyl)cyclopentan-1-amine?
The InChIKey is ISZDCZBVXFMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-7-11-8-9(10)5-3-4-6-9/h2-8,10H2,1H3.
What are the key properties of 1-(propoxymethyl)cyclopentan-1-amine?
1-(propoxymethyl)cyclopentan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 11693941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).