[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine

C12H18N2 — CID 115009017

IUPAC[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine
SMILESCCc1cncc(C2(CN)CCC2)c1
InChIInChI=1S/C12H18N2/c1-2-10-6-11(8-14-7-10)12(9-13)4-3-5-12/h6-8H,2-5,9,13H2,1H3
InChIKeyABQBFLIUFXTRAA-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.02
Rot. Bonds3

About [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine

[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine (PubChem CID 115009017) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine
PubChem CID115009017
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine
SMILESCCc1cncc(C2(CN)CCC2)c1
InChIInChI=1S/C12H18N2/c1-2-10-6-11(8-14-7-10)12(9-13)4-3-5-12/h6-8H,2-5,9,13H2,1H3
InChIKeyABQBFLIUFXTRAA-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine?
The IUPAC name of [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine (CID 115009017) is [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine is CCc1cncc(C2(CN)CCC2)c1.
What is the InChIKey of [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine?
The InChIKey is ABQBFLIUFXTRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-10-6-11(8-14-7-10)12(9-13)4-3-5-12/h6-8H,2-5,9,13H2,1H3.
What are the key properties of [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine?
[1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-3-pyridinyl)cyclobutyl]methanamine is sourced from PubChem (CID 115009017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).