3-(diethylaminomethyl)pyridine-2-carboximidamide

C11H18N4 — CID 62895902

IUPAC3-(diethylaminomethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CC)CC
InChIInChI=1S/C11H18N4/c1-3-15(4-2)8-9-6-5-7-14-10(9)11(12)13/h5-7H,3-4,8H2,1-2H3,(H3,12,13)
InChIKeyUIIJUCVKXDRNKZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.21
Rot. Bonds5

About 3-(diethylaminomethyl)pyridine-2-carboximidamide

3-(diethylaminomethyl)pyridine-2-carboximidamide (PubChem CID 62895902) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(diethylaminomethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-(diethylaminomethyl)pyridine-2-carboximidamide
PubChem CID62895902
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-(diethylaminomethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(CC)CC
InChIInChI=1S/C11H18N4/c1-3-15(4-2)8-9-6-5-7-14-10(9)11(12)13/h5-7H,3-4,8H2,1-2H3,(H3,12,13)
InChIKeyUIIJUCVKXDRNKZ-UHFFFAOYSA-N
XLogP1.21
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893872
3-[(N-ethyl-2-methylanilino)methyl]pyridine-2-carboximidamide
CID 62895735
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-[(N-butylanilino)methyl]pyridine-2-carboximidamide
CID 64585399
3-[[3-hydroxypropyl(propan-2-yl)amino]methyl]pyridine-2-carboximidamide
CID 62894556
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387

Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)pyridine-2-carboximidamide?
The IUPAC name of 3-(diethylaminomethyl)pyridine-2-carboximidamide (CID 62895902) is 3-(diethylaminomethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 3-(diethylaminomethyl)pyridine-2-carboximidamide?
The canonical SMILES for 3-(diethylaminomethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(CC)CC.
What is the InChIKey of 3-(diethylaminomethyl)pyridine-2-carboximidamide?
The InChIKey is UIIJUCVKXDRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-15(4-2)8-9-6-5-7-14-10(9)11(12)13/h5-7H,3-4,8H2,1-2H3,(H3,12,13).
What are the key properties of 3-(diethylaminomethyl)pyridine-2-carboximidamide?
3-(diethylaminomethyl)pyridine-2-carboximidamide has a molecular weight of 206.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 62895902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).