4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide

C16H27N5 — CID 105415016

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CC2(N(C)C)CCC2)cc(C)nc1C
InChIInChI=1S/C16H27N5/c1-11-9-13(14(15(17)18)12(2)19-11)21(5)10-16(20(3)4)7-6-8-16/h9H,6-8,10H2,1-5H3,(H3,17,18)
InChIKeyDABXKZDEMDQNDJ-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.90
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 105415016) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID105415016
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N(C)CC2(N(C)C)CCC2)cc(C)nc1C
InChIInChI=1S/C16H27N5/c1-11-9-13(14(15(17)18)12(2)19-11)21(5)10-16(20(3)4)7-6-8-16/h9H,6-8,10H2,1-5H3,(H3,17,18)
InChIKeyDABXKZDEMDQNDJ-UHFFFAOYSA-N
XLogP1.90
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide (CID 105415016) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(N(C)CC2(N(C)C)CCC2)cc(C)nc1C.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is DABXKZDEMDQNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-11-9-13(14(15(17)18)12(2)19-11)21(5)10-16(20(3)4)7-6-8-16/h9H,6-8,10H2,1-5H3,(H3,17,18).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 289.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 105415016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).