6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine

C13H22N4 — CID 105420768

IUPAC6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H22N4/c1-14-11-6-4-7-12(16-11)15-10-13(17(2)3)8-5-9-13/h4,6-7H,5,8-10H2,1-3H3,(H2,14,15,16)
InChIKeyCOVKPSNYQAYMAI-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.02
Rot. Bonds5

About 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine

6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine (PubChem CID 105420768) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine
PubChem CID105420768
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NCC2(N(C)C)CCC2)n1
InChIInChI=1S/C13H22N4/c1-14-11-6-4-7-12(16-11)15-10-13(17(2)3)8-5-9-13/h4,6-7H,5,8-10H2,1-3H3,(H2,14,15,16)
InChIKeyCOVKPSNYQAYMAI-UHFFFAOYSA-N
XLogP2.02
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine (CID 105420768) is 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine is CNc1cccc(NCC2(N(C)C)CCC2)n1.
What is the InChIKey of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is COVKPSNYQAYMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-14-11-6-4-7-12(16-11)15-10-13(17(2)3)8-5-9-13/h4,6-7H,5,8-10H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine?
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 105420768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).