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

C13H20N4 — CID 107399029

IUPAC2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC2CCC2)c1
InChIInChI=1S/C13H20N4/c1-2-17(9-10-4-3-5-10)12-8-11(13(14)15)6-7-16-12/h6-8,10H,2-5,9H2,1H3,(H3,14,15)
InChIKeyQTMUBJPNZAYFJJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.99
Rot. Bonds5

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

2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide (PubChem CID 107399029) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
PubChem CID107399029
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC2CCC2)c1
InChIInChI=1S/C13H20N4/c1-2-17(9-10-4-3-5-10)12-8-11(13(14)15)6-7-16-12/h6-8,10H,2-5,9H2,1H3,(H3,14,15)
InChIKeyQTMUBJPNZAYFJJ-UHFFFAOYSA-N
XLogP1.99
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.99
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-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
CID 79477749
2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 54999432
4-[cyclobutylmethyl(ethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 107399003
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550528
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide (CID 107399029) is 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CC)CC2CCC2)c1.
What is the InChIKey of 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide?
The InChIKey is QTMUBJPNZAYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-17(9-10-4-3-5-10)12-8-11(13(14)15)6-7-16-12/h6-8,10H,2-5,9H2,1H3,(H3,14,15).
What are the key properties of 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide?
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 107399029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).