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

C7H14ClN5 — CID 121267941

IUPACN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N1CC=CCC1
InChIInChI=1S/C7H13N5.ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;/h1-2H,3-5H2,(H5,8,9,10,11);1H
InChIKeyQCTGSTVFQOAIGZ-UHFFFAOYSA-N
MW203.68 g/mol
LogP-0.12
Rot. Bonds

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

N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (PubChem CID 121267941) has the molecular formula C7H14ClN5 and a molecular weight of 203.68 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
PubChem CID121267941
Molecular FormulaC7H14ClN5
Molecular Weight203.68 g/mol
Exact Mass203.09
IUPAC NameN-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N=C(N)N)N1CC=CCC1
InChIInChI=1S/C7H13N5.ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;/h1-2H,3-5H2,(H5,8,9,10,11);1H
InChIKeyQCTGSTVFQOAIGZ-UHFFFAOYSA-N
XLogP-0.12
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.68
LogP ≤ 5-0.12
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
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 78321571
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'-(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;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (CID 121267941) is N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N=C(N)N)N1CC=CCC1.
What is the InChIKey of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The InChIKey is QCTGSTVFQOAIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5.ClH/c8-6(9)11-7(10)12-4-2-1-3-5-12;/h1-2H,3-5H2,(H5,8,9,10,11);1H.
What are the key properties of N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride has a molecular weight of 203.68 g/mol, XLogP of -0.12, 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;hydrochloride is sourced from PubChem (CID 121267941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).