4-(azocan-1-ylmethyl)pyridine-2-carboximidamide

C14H22N4 — CID 63880856

IUPAC4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCCCCCC2)ccn1
InChIInChI=1S/C14H22N4/c15-14(16)13-10-12(6-7-17-13)11-18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2,(H3,15,16)
InChIKeyYTSMYRVESRUQOQ-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.13
Rot. Bonds3

About 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide

4-(azocan-1-ylmethyl)pyridine-2-carboximidamide (PubChem CID 63880856) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
PubChem CID63880856
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(CN2CCCCCCC2)ccn1
InChIInChI=1S/C14H22N4/c15-14(16)13-10-12(6-7-17-13)11-18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2,(H3,15,16)
InChIKeyYTSMYRVESRUQOQ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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

4-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882036
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882044
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 79188906
4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 103356372
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]pyridine-2-carboximidamide
CID 82695930
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pyridine-2-carboximidamide
CID 66392896
4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 114797902
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pyridine-2-carboximidamide
CID 63880669
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882045
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 63882416
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide?
The IUPAC name of 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide (CID 63880856) is 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide.
What is the SMILES notation for 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide?
The canonical SMILES for 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(CN2CCCCCCC2)ccn1.
What is the InChIKey of 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide?
The InChIKey is YTSMYRVESRUQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-14(16)13-10-12(6-7-17-13)11-18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2,(H3,15,16).
What are the key properties of 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide?
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-ylmethyl)pyridine-2-carboximidamide is sourced from PubChem (CID 63880856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).