1-(butoxymethyl)cyclopentan-1-amine

C10H21NO — CID 64574153

IUPAC1-(butoxymethyl)cyclopentan-1-amine
SMILESCCCCOCC1(N)CCCC1
InChIInChI=1S/C10H21NO/c1-2-3-8-12-9-10(11)6-4-5-7-10/h2-9,11H2,1H3
InChIKeyXFSUIMGGCQXJRD-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.07
Rot. Bonds5

About 1-(butoxymethyl)cyclopentan-1-amine

1-(butoxymethyl)cyclopentan-1-amine (PubChem CID 64574153) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(butoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(butoxymethyl)cyclopentan-1-amine
PubChem CID64574153
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(butoxymethyl)cyclopentan-1-amine
SMILESCCCCOCC1(N)CCCC1
InChIInChI=1S/C10H21NO/c1-2-3-8-12-9-10(11)6-4-5-7-10/h2-9,11H2,1H3
InChIKeyXFSUIMGGCQXJRD-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.07
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-(butoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(butoxymethyl)cyclopentan-1-amine (CID 64574153) is 1-(butoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(butoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(butoxymethyl)cyclopentan-1-amine is CCCCOCC1(N)CCCC1.
What is the InChIKey of 1-(butoxymethyl)cyclopentan-1-amine?
The InChIKey is XFSUIMGGCQXJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-8-12-9-10(11)6-4-5-7-10/h2-9,11H2,1H3.
What are the key properties of 1-(butoxymethyl)cyclopentan-1-amine?
1-(butoxymethyl)cyclopentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 64574153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).