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

C7H13N5 — CID 78321571

IUPACN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC=CCC1
InChIInChI=1S/C7H13N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-2H,3-5H2,(H5,8,9,10,11)
InChIKeyGZOGHJCPUSZTRQ-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.54
Rot. Bonds

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

N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 78321571) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID78321571
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC=CCC1
InChIInChI=1S/C7H13N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-2H,3-5H2,(H5,8,9,10,11)
InChIKeyGZOGHJCPUSZTRQ-UHFFFAOYSA-N
XLogP-0.54
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.54
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
2,4-diamino-6-[3,6-dihydro-1(2H)-pyridyl]-s-triazine-3-oxide
CID 20535091
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321569
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321570
3,6-dihydro-2H-pyridin-1-ylmethanimine
CID 85750766
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-(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

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 78321571) is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CC=CCC1.
What is the InChIKey of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is GZOGHJCPUSZTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-2H,3-5H2,(H5,8,9,10,11).
What are the key properties of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 167.22 g/mol, XLogP of -0.54, 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 is sourced from PubChem (CID 78321571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).