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

C10H21Cl2N5 — CID 176525969

IUPACN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1
InChIInChI=1S/C10H19N5.2ClH/c1-2-6-13-9(11)14-10(12)15-7-4-3-5-8-15;;/h3-4H,2,5-8H2,1H3,(H4,11,12,13,14);2*1H
InChIKeyFVJREAJYXSHJJB-UHFFFAOYSA-N
MW282.22 g/mol
LogP1.34
Rot. Bonds2

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

N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride (PubChem CID 176525969) has the molecular formula C10H21Cl2N5 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound NameN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
PubChem CID176525969
Molecular FormulaC10H21Cl2N5
Molecular Weight282.22 g/mol
Exact Mass281.12
IUPAC NameN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1
InChIInChI=1S/C10H19N5.2ClH/c1-2-6-13-9(11)14-10(12)15-7-4-3-5-8-15;;/h3-4H,2,5-8H2,1H3,(H4,11,12,13,14);2*1H
InChIKeyFVJREAJYXSHJJB-UHFFFAOYSA-N
XLogP1.34
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 51.34
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

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-(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-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
CID 142722439
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-(3,6-dihydro-2H-pyridine-1-carboximidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 176518457

Frequently Asked Questions

What is the IUPAC name of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
The IUPAC name of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride (CID 176525969) is N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride.
What is the SMILES notation for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
The canonical SMILES for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1.
What is the InChIKey of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
The InChIKey is FVJREAJYXSHJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.2ClH/c1-2-6-13-9(11)14-10(12)15-7-4-3-5-8-15;;/h3-4H,2,5-8H2,1H3,(H4,11,12,13,14);2*1H.
What are the key properties of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride?
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride has a molecular weight of 282.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 176525969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).