6-(dicyclohexylamino)pyridine-3-carboximidamide

C18H28N4 — CID 43823179

IUPAC6-(dicyclohexylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C2CCCCC2)C2CCCCC2)nc1
InChIInChI=1S/C18H28N4/c19-18(20)14-11-12-17(21-13-14)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H3,19,20)
InChIKeyADANTAXZWBNJKK-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.84
Rot. Bonds4

About 6-(dicyclohexylamino)pyridine-3-carboximidamide

6-(dicyclohexylamino)pyridine-3-carboximidamide (PubChem CID 43823179) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 6-(dicyclohexylamino)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(dicyclohexylamino)pyridine-3-carboximidamide
PubChem CID43823179
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name6-(dicyclohexylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C2CCCCC2)C2CCCCC2)nc1
InChIInChI=1S/C18H28N4/c19-18(20)14-11-12-17(21-13-14)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H3,19,20)
InChIKeyADANTAXZWBNJKK-UHFFFAOYSA-N
XLogP3.84
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.84
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 6-(dicyclohexylamino)pyridine-3-carboximidamide?
The IUPAC name of 6-(dicyclohexylamino)pyridine-3-carboximidamide (CID 43823179) is 6-(dicyclohexylamino)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(dicyclohexylamino)pyridine-3-carboximidamide?
The canonical SMILES for 6-(dicyclohexylamino)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N(C2CCCCC2)C2CCCCC2)nc1.
What is the InChIKey of 6-(dicyclohexylamino)pyridine-3-carboximidamide?
The InChIKey is ADANTAXZWBNJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c19-18(20)14-11-12-17(21-13-14)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11-13,15-16H,1-10H2,(H3,19,20).
What are the key properties of 6-(dicyclohexylamino)pyridine-3-carboximidamide?
6-(dicyclohexylamino)pyridine-3-carboximidamide has a molecular weight of 300.45 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dicyclohexylamino)pyridine-3-carboximidamide is sourced from PubChem (CID 43823179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).