[2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine

C12H18N2 — CID 130560614

IUPAC[2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine
SMILESCc1cc(C2CCC2CN)cnc1C
InChIInChI=1S/C12H18N2/c1-8-5-11(7-14-9(8)2)12-4-3-10(12)6-13/h5,7,10,12H,3-4,6,13H2,1-2H3
InChIKeyZAGNLLAKXRVBOF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.15
Rot. Bonds2

About [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine

[2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine (PubChem CID 130560614) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine
PubChem CID130560614
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine
SMILESCc1cc(C2CCC2CN)cnc1C
InChIInChI=1S/C12H18N2/c1-8-5-11(7-14-9(8)2)12-4-3-10(12)6-13/h5,7,10,12H,3-4,6,13H2,1-2H3
InChIKeyZAGNLLAKXRVBOF-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine?
The IUPAC name of [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine (CID 130560614) is [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine?
The canonical SMILES for [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine is Cc1cc(C2CCC2CN)cnc1C.
What is the InChIKey of [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine?
The InChIKey is ZAGNLLAKXRVBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-5-11(7-14-9(8)2)12-4-3-10(12)6-13/h5,7,10,12H,3-4,6,13H2,1-2H3.
What are the key properties of [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine?
[2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dimethyl-3-pyridinyl)cyclobutyl]methanamine is sourced from PubChem (CID 130560614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).