N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride

C7H15Cl2N5 — CID 142722439

IUPACN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N=C(N)N)N1CC=CCC1
InChIInChI=1S/C7H13N5.2ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;;/h1-2H,3-5H2,(H5,8,9,10,11);2*1H
InChIKeyVTRNMLAAAQGVJS-UHFFFAOYSA-N
MW240.14 g/mol
LogP0.30
Rot. Bonds

About N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride

N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride (PubChem CID 142722439) has the molecular formula C7H15Cl2N5 and a molecular weight of 240.14 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
PubChem CID142722439
Molecular FormulaC7H15Cl2N5
Molecular Weight240.14 g/mol
Exact Mass239.07
IUPAC NameN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N=C(N)N)N1CC=CCC1
InChIInChI=1S/C7H13N5.2ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;;/h1-2H,3-5H2,(H5,8,9,10,11);2*1H
InChIKeyVTRNMLAAAQGVJS-UHFFFAOYSA-N
XLogP0.30
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321571
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
N'-cyano-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 118593778
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
CID 121267941
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

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
The IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride (CID 142722439) is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
The canonical SMILES for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N=C(N)N)N1CC=CCC1.
What is the InChIKey of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
The InChIKey is VTRNMLAAAQGVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5.2ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;;/h1-2H,3-5H2,(H5,8,9,10,11);2*1H.
What are the key properties of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride has a molecular weight of 240.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 142722439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).