2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide

C13H20N4 — CID 54999432

IUPAC2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC2CC2)C(C)C)c1
InChIInChI=1S/C13H20N4/c1-9(2)17(8-10-3-4-10)12-7-11(13(14)15)5-6-16-12/h5-7,9-10H,3-4,8H2,1-2H3,(H3,14,15)
InChIKeyFYFFAPBTKWJARI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.99
Rot. Bonds5

About 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide

2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide (PubChem CID 54999432) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
PubChem CID54999432
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC2CC2)C(C)C)c1
InChIInChI=1S/C13H20N4/c1-9(2)17(8-10-3-4-10)12-7-11(13(14)15)5-6-16-12/h5-7,9-10H,3-4,8H2,1-2H3,(H3,14,15)
InChIKeyFYFFAPBTKWJARI-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-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566
2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
CID 79477749
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carboxamide
CID 106618863
2-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
6-[cyclopropylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 60985659
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide (CID 54999432) is 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CC2CC2)C(C)C)c1.
What is the InChIKey of 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide?
The InChIKey is FYFFAPBTKWJARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)17(8-10-3-4-10)12-7-11(13(14)15)5-6-16-12/h5-7,9-10H,3-4,8H2,1-2H3,(H3,14,15).
What are the key properties of 2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide?
2-[cyclopropylmethyl(propan-2-yl)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-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 54999432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).