N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide

C13H25N5 — CID 123384054

IUPACN'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCCCCC/N=C(\N)N=C(N)N1CC=CCC1
InChIInChI=1S/C13H25N5/c1-2-3-4-6-9-16-12(14)17-13(15)18-10-7-5-8-11-18/h5,7H,2-4,6,8-11H2,1H3,(H4,14,15,16,17)
InChIKeyBSNOCXSKDGXRRR-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.46
Rot. Bonds5

About N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide

N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 123384054) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID123384054
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCCCCC/N=C(\N)N=C(N)N1CC=CCC1
InChIInChI=1S/C13H25N5/c1-2-3-4-6-9-16-12(14)17-13(15)18-10-7-5-8-11-18/h5,7H,2-4,6,8-11H2,1H3,(H4,14,15,16,17)
InChIKeyBSNOCXSKDGXRRR-UHFFFAOYSA-N
XLogP1.46
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321248
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123313033
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776
N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
CID 161070241
N'-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 161070242
N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
CID 176518278
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
CID 176518279
N-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
CID 176520393
N-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176522967

Frequently Asked Questions

What is the IUPAC name of N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 123384054) is N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is CCCCCC/N=C(\N)N=C(N)N1CC=CCC1.
What is the InChIKey of N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is BSNOCXSKDGXRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-2-3-4-6-9-16-12(14)17-13(15)18-10-7-5-8-11-18/h5,7H,2-4,6,8-11H2,1H3,(H4,14,15,16,17).
What are the key properties of N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 251.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 123384054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).