N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

C13H23N5 — CID 176535305

IUPACN-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CC/C=C\CC)N1CC=CCC1
InChIInChI=1S/C13H23N5/c1-2-3-4-6-9-16-12(14)17-13(15)18-10-7-5-8-11-18/h3-5,7H,2,6,8-11H2,1H3,(H4,14,15,16,17)/b4-3-
InChIKeyFZDLBDLMOHJKTK-ARJAWSKDSA-N
MW249.36 g/mol
LogP1.44
Rot. Bonds4

About N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide

N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 176535305) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID176535305
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/CC/C=C\CC)N1CC=CCC1
InChIInChI=1S/C13H23N5/c1-2-3-4-6-9-16-12(14)17-13(15)18-10-7-5-8-11-18/h3-5,7H,2,6,8-11H2,1H3,(H4,14,15,16,17)/b4-3-
InChIKeyFZDLBDLMOHJKTK-ARJAWSKDSA-N
XLogP1.44
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.44
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'}

Analyze N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[amino-[[(Z)-N'-[[(Z)-[amino-[[N'-[3-[dimethyl-[(E)-pent-2-enyl]azaniumyl]propyl]carbamimidoyl]amino]methylidene]amino]methyl]carbamimidoyl]amino]methylidene]amino]propyl-[(E)-4-[dimethyl-[(trimethylazaniumyl)methyl]azaniumyl]but-2-enyl]-dimethylazanium
CID 20826072
3-[[amino-[[(E)-N'-[[(E)-[amino-[[N'-[3-[dimethyl-[(E)-pent-2-enyl]azaniumyl]propyl]carbamimidoyl]amino]methylidene]amino]methyl]carbamimidoyl]amino]methylidene]amino]propyl-[(E)-4-[dimethyl-[(trimethylazaniumyl)methyl]azaniumyl]but-2-enyl]-dimethylazanium
CID 60014251
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
3-[[amino-[[N'-[[[amino-[[N'-[3-[dimethyl-[(E)-pent-2-enyl]azaniumyl]propyl]carbamimidoyl]amino]methylidene]amino]methyl]carbamimidoyl]amino]methylidene]amino]propyl-[(E)-4-[dimethyl-[(trimethylazaniumyl)methyl]azaniumyl]but-2-enyl]-dimethylazanium
CID 90984627
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

Frequently Asked Questions

What is the IUPAC name of N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 176535305) is N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N/C(N)=N/CC/C=C\CC)N1CC=CCC1.
What is the InChIKey of N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is FZDLBDLMOHJKTK-ARJAWSKDSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-3-4-6-9-16-12(14)17-13(15)18-10-7-5-8-11-18/h3-5,7H,2,6,8-11H2,1H3,(H4,14,15,16,17)/b4-3-.
What are the key properties of N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 249.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[(Z)-hex-3-enyl]carbamimidoyl]-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 176535305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).