(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride

C11H18Cl2N2 — CID 126566751

IUPAC(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
SMILESCc1cc(CN)cc(C2CCC2)n1.Cl.Cl
InChIInChI=1S/C11H16N2.2ClH/c1-8-5-9(7-12)6-11(13-8)10-3-2-4-10;;/h5-6,10H,2-4,7,12H2,1H3;2*1H
InChIKeyDZEIGQYTOMZWDT-UHFFFAOYSA-N
MW249.18 g/mol
LogP2.96
Rot. Bonds2

About (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride

(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride (PubChem CID 126566751) has the molecular formula C11H18Cl2N2 and a molecular weight of 249.18 g/mol. Its IUPAC name is (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
PubChem CID126566751
Molecular FormulaC11H18Cl2N2
Molecular Weight249.18 g/mol
Exact Mass248.08
IUPAC Name(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride
SMILESCc1cc(CN)cc(C2CCC2)n1.Cl.Cl
InChIInChI=1S/C11H16N2.2ClH/c1-8-5-9(7-12)6-11(13-8)10-3-2-4-10;;/h5-6,10H,2-4,7,12H2,1H3;2*1H
InChIKeyDZEIGQYTOMZWDT-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride (CID 126566751) is (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride is Cc1cc(CN)cc(C2CCC2)n1.Cl.Cl.
What is the InChIKey of (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride?
The InChIKey is DZEIGQYTOMZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.2ClH/c1-8-5-9(7-12)6-11(13-8)10-3-2-4-10;;/h5-6,10H,2-4,7,12H2,1H3;2*1H.
What are the key properties of (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride?
(2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride has a molecular weight of 249.18 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyl-6-methyl-4-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 126566751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).