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

C11H21N5 — CID 123313033

IUPACN'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCCC/N=C(\N)N=C(N)N1CC=CCC1
InChIInChI=1S/C11H21N5/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)
InChIKeyTVOTYWXZKULPNP-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.68
Rot. Bonds3

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

N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 123313033) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID123313033
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCCC/N=C(\N)N=C(N)N1CC=CCC1
InChIInChI=1S/C11H21N5/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)
InChIKeyTVOTYWXZKULPNP-UHFFFAOYSA-N
XLogP0.68
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'-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
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
4,5-bis(ethenyl)-N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 142863718

Frequently Asked Questions

What is the IUPAC name of N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 123313033) is N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is CCCC/N=C(\N)N=C(N)N1CC=CCC1.
What is the InChIKey of N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is TVOTYWXZKULPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/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).
What are the key properties of N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 223.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-butylcarbamimidoyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 123313033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).