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

C10H20ClN5 — CID 176518279

IUPACN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1
InChIInChI=1S/C10H19N5.ClH/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);1H
InChIKeyAHGKKUHBRYCYMF-UHFFFAOYSA-N
MW245.76 g/mol
LogP0.92
Rot. Bonds2

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

N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (PubChem CID 176518279) has the molecular formula C10H20ClN5 and a molecular weight of 245.76 g/mol. Its IUPAC name is N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
PubChem CID176518279
Molecular FormulaC10H20ClN5
Molecular Weight245.76 g/mol
Exact Mass245.14
IUPAC NameN-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CCC)N1CC=CCC1
InChIInChI=1S/C10H19N5.ClH/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);1H
InChIKeyAHGKKUHBRYCYMF-UHFFFAOYSA-N
XLogP0.92
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 50.92
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-[[amino-[[(Z)-N'-[[(Z)-[amino-[[N'-[3-[dimethyl-[(E)-pent-2-enyl]azaniumyl]propyl]carbamimidoyl]amino]methylidene]amino]methyl]carbamimidoyl]amino]methylidene]amino]propyl-[(E)-4-[dimethyl-[(trimethylazaniumyl)methyl]azaniumyl]but-2-enyl]-dimethylazanium
CID 20826072
3-[[amino-[[(E)-N'-[[(E)-[amino-[[N'-[3-[dimethyl-[(E)-pent-2-enyl]azaniumyl]propyl]carbamimidoyl]amino]methylidene]amino]methyl]carbamimidoyl]amino]methylidene]amino]propyl-[(E)-4-[dimethyl-[(trimethylazaniumyl)methyl]azaniumyl]but-2-enyl]-dimethylazanium
CID 60014251
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-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321571
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
3-[[amino-[[N'-[[[amino-[[N'-[3-[dimethyl-[(E)-pent-2-enyl]azaniumyl]propyl]carbamimidoyl]amino]methylidene]amino]methyl]carbamimidoyl]amino]methylidene]amino]propyl-[(E)-4-[dimethyl-[(trimethylazaniumyl)methyl]azaniumyl]but-2-enyl]-dimethylazanium
CID 90984627
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
CID 121267941
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123313033
6-N-(2-ethylpenta-2,4-dienyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 123354238
N'-(N'-hexylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123384054

Frequently Asked Questions

What is the IUPAC name of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The IUPAC name of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (CID 176518279) is N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride is 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;hydrochloride?
The InChIKey is AHGKKUHBRYCYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5.ClH/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);1H.
What are the key properties of N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
N-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride has a molecular weight of 245.76 g/mol, XLogP of 0.92, 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;hydrochloride is sourced from PubChem (CID 176518279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).