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

C12H19N5 — CID 176518457

IUPACN-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(/N/C(=N/[H])N1CC=CCC1)N1CC=CCC1
InChIInChI=1S/C12H19N5/c13-11(16-7-3-1-4-8-16)15-12(14)17-9-5-2-6-10-17/h1-3,5H,4,6-10H2,(H3,13,14,15)
InChIKeyUEOGYOZPAPDUJO-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.97
Rot. Bonds

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

N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 176518457) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID176518457
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(/N/C(=N/[H])N1CC=CCC1)N1CC=CCC1
InChIInChI=1S/C12H19N5/c13-11(16-7-3-1-4-8-16)15-12(14)17-9-5-2-6-10-17/h1-3,5H,4,6-10H2,(H3,13,14,15)
InChIKeyUEOGYOZPAPDUJO-UHFFFAOYSA-N
XLogP0.97
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

3,6-dihydro-2H-pyridine-1-carboximidamide
CID 19089264
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321571
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
1,2,3,6-Tetrahydropyridin-1-ium-1-carboximidamide
CID 173337166
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
CID 176522967
N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176522968
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176522969

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 176518457) is N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(/N/C(=N/[H])N1CC=CCC1)N1CC=CCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is UEOGYOZPAPDUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-11(16-7-3-1-4-8-16)15-12(14)17-9-5-2-6-10-17/h1-3,5H,4,6-10H2,(H3,13,14,15).
What are the key properties of N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 0.97, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 176518457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).