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

C10H19N5 — CID 123587776

IUPACN'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCC/N=C(\N)N=C(N)N1CC=CCC1
InChIInChI=1S/C10H19N5/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)
InChIKeyZFLRBIZGILZTDO-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.29
Rot. Bonds2

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

N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 123587776) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID123587776
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC NameN'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCC/N=C(\N)N=C(N)N1CC=CCC1
InChIInChI=1S/C10H19N5/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)
InChIKeyZFLRBIZGILZTDO-UHFFFAOYSA-N
XLogP0.29
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.29
H-Bond Donors ≤ 52
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
1,2-Bis(prop-2-enyl)-1-propylguanidine
CID 23281969
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
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
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?
The IUPAC name of N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 123587776) is N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is CCC/N=C(\N)N=C(N)N1CC=CCC1.
What is the InChIKey of N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is ZFLRBIZGILZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/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).
What are the key properties of N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 209.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 123587776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).