2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide

C13H22N4 — CID 79477749

IUPAC2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC(C)CC)c1
InChIInChI=1S/C13H22N4/c1-4-10(3)9-17(5-2)12-8-11(13(14)15)6-7-16-12/h6-8,10H,4-5,9H2,1-3H3,(H3,14,15)
InChIKeyOWTNGBGAHQYFHL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.24
Rot. Bonds6

About 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide

2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide (PubChem CID 79477749) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
PubChem CID79477749
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC(C)CC)c1
InChIInChI=1S/C13H22N4/c1-4-10(3)9-17(5-2)12-8-11(13(14)15)6-7-16-12/h6-8,10H,4-5,9H2,1-3H3,(H3,14,15)
InChIKeyOWTNGBGAHQYFHL-UHFFFAOYSA-N
XLogP2.24
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.24
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

2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 54999432
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
CID 54985064
2-[2-(diethylamino)-4-pyridinyl]ethanimidamide
CID 83882972
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
CID 61416094
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide (CID 79477749) is 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CC)CC(C)CC)c1.
What is the InChIKey of 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide?
The InChIKey is OWTNGBGAHQYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-10(3)9-17(5-2)12-8-11(13(14)15)6-7-16-12/h6-8,10H,4-5,9H2,1-3H3,(H3,14,15).
What are the key properties of 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide?
2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide has a molecular weight of 234.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 79477749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).