2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide

C14H22N4 — CID 55004929

IUPAC2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)C2CCCCC2C)c1
InChIInChI=1S/C14H22N4/c1-10-5-3-4-6-12(10)18(2)13-9-11(14(15)16)7-8-17-13/h7-10,12H,3-6H2,1-2H3,(H3,15,16)
InChIKeyIZTSQNGURFDSLD-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.38
Rot. Bonds3

About 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide

2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide (PubChem CID 55004929) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
PubChem CID55004929
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)C2CCCCC2C)c1
InChIInChI=1S/C14H22N4/c1-10-5-3-4-6-12(10)18(2)13-9-11(14(15)16)7-8-17-13/h7-10,12H,3-6H2,1-2H3,(H3,15,16)
InChIKeyIZTSQNGURFDSLD-UHFFFAOYSA-N
XLogP2.38
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide (CID 55004929) is 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)C2CCCCC2C)c1.
What is the InChIKey of 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide?
The InChIKey is IZTSQNGURFDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-5-3-4-6-12(10)18(2)13-9-11(14(15)16)7-8-17-13/h7-10,12H,3-6H2,1-2H3,(H3,15,16).
What are the key properties of 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide?
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 55004929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).