4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide

C16H24N4 — CID 62937602

IUPAC4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC3(CCCCC3)CC2)ccn1
InChIInChI=1S/C16H24N4/c17-15(18)14-12-13(4-9-19-14)20-10-7-16(8-11-20)5-2-1-3-6-16/h4,9,12H,1-3,5-8,10-11H2,(H3,17,18)
InChIKeyUFDLKSRVCZKILZ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.92
Rot. Bonds2

About 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide

4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide (PubChem CID 62937602) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide
PubChem CID62937602
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(N2CCC3(CCCCC3)CC2)ccn1
InChIInChI=1S/C16H24N4/c17-15(18)14-12-13(4-9-19-14)20-10-7-16(8-11-20)5-2-1-3-6-16/h4,9,12H,1-3,5-8,10-11H2,(H3,17,18)
InChIKeyUFDLKSRVCZKILZ-UHFFFAOYSA-N
XLogP2.92
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.92
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 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide?
The IUPAC name of 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide (CID 62937602) is 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(N2CCC3(CCCCC3)CC2)ccn1.
What is the InChIKey of 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide?
The InChIKey is UFDLKSRVCZKILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c17-15(18)14-12-13(4-9-19-14)20-10-7-16(8-11-20)5-2-1-3-6-16/h4,9,12H,1-3,5-8,10-11H2,(H3,17,18).
What are the key properties of 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide?
4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide has a molecular weight of 272.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azaspiro[5.5]undecan-3-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 62937602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).