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

C11H22ClN5 — CID 176518278

IUPACN-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CCCC)N1CC=CCC1
InChIInChI=1S/C11H21N5.ClH/c1-2-3-7-14-10(12)15-11(13)16-8-5-4-6-9-16;/h4-5H,2-3,6-9H2,1H3,(H4,12,13,14,15);1H
InChIKeyABWFDCBNABTABI-UHFFFAOYSA-N
MW259.78 g/mol
LogP1.31
Rot. Bonds3

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

N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (PubChem CID 176518278) has the molecular formula C11H22ClN5 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
PubChem CID176518278
Molecular FormulaC11H22ClN5
Molecular Weight259.78 g/mol
Exact Mass259.16
IUPAC NameN-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N/C(N)=N/CCCC)N1CC=CCC1
InChIInChI=1S/C11H21N5.ClH/c1-2-3-7-14-10(12)15-11(13)16-8-5-4-6-9-16;/h4-5H,2-3,6-9H2,1H3,(H4,12,13,14,15);1H
InChIKeyABWFDCBNABTABI-UHFFFAOYSA-N
XLogP1.31
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-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-(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
N'-(N'-propylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 123587776
N-(diaminomethylidene)-3,6-dihydro-2H-pyridine-1-carboximidamide;dihydrochloride
CID 142722439
3-(diaminomethylidene)-1-[(Z)-8-[[N-(diaminomethylidene)carbamimidoyl]-methylamino]oct-4-enyl]-1-methylguanidine
CID 159035908
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-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The IUPAC name of N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride (CID 176518278) is N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride is Cl.[H]/N=C(\N/C(N)=N/CCCC)N1CC=CCC1.
What is the InChIKey of N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
The InChIKey is ABWFDCBNABTABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.ClH/c1-2-3-7-14-10(12)15-11(13)16-8-5-4-6-9-16;/h4-5H,2-3,6-9H2,1H3,(H4,12,13,14,15);1H.
What are the key properties of N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride?
N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 176518278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).