1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine

C15H24N2 — CID 70482960

IUPAC1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
SMILESCCCCCC1(NCc2cccnc2)CCC1
InChIInChI=1S/C15H24N2/c1-2-3-4-8-15(9-6-10-15)17-13-14-7-5-11-16-12-14/h5,7,11-12,17H,2-4,6,8-10,13H2,1H3
InChIKeyOZQPUKMXSJQFNJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.67
Rot. Bonds7

About 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine

1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine (PubChem CID 70482960) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
PubChem CID70482960
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
SMILESCCCCCC1(NCc2cccnc2)CCC1
InChIInChI=1S/C15H24N2/c1-2-3-4-8-15(9-6-10-15)17-13-14-7-5-11-16-12-14/h5,7,11-12,17H,2-4,6,8-10,13H2,1H3
InChIKeyOZQPUKMXSJQFNJ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.67
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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Related Compounds

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1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine
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1-(pyridin-3-ylmethylamino)cyclohexane-1-carboxylic acid;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine (CID 70482960) is 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine is CCCCCC1(NCc2cccnc2)CCC1.
What is the InChIKey of 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is OZQPUKMXSJQFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-4-8-15(9-6-10-15)17-13-14-7-5-11-16-12-14/h5,7,11-12,17H,2-4,6,8-10,13H2,1H3.
What are the key properties of 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine?
1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 70482960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).