N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide

C13H23N5 — CID 143008001

IUPACN-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
SMILES[H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N/CCN
InChIInChI=1S/C13H23N5/c1-11(9-15)13(17-10-16-8-7-14)18-12-5-3-2-4-6-12/h9-10,12,15H,1-8,14H2,(H,16,17,18)/b15-9+
InChIKeyDILUFSHLWCDAMC-OQLLNIDSSA-N
MW249.36 g/mol
LogP1.50
Rot. Bonds6

About N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide

N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide (PubChem CID 143008001) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide.

Molecular Properties

Compound NameN-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
PubChem CID143008001
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
SMILES[H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N/CCN
InChIInChI=1S/C13H23N5/c1-11(9-15)13(17-10-16-8-7-14)18-12-5-3-2-4-6-12/h9-10,12,15H,1-8,14H2,(H,16,17,18)/b15-9+
InChIKeyDILUFSHLWCDAMC-OQLLNIDSSA-N
XLogP1.50
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
The IUPAC name of N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide (CID 143008001) is N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide.
What is the SMILES notation for N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
The canonical SMILES for N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide is [H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N/CCN.
What is the InChIKey of N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
The InChIKey is DILUFSHLWCDAMC-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(9-15)13(17-10-16-8-7-14)18-12-5-3-2-4-6-12/h9-10,12,15H,1-8,14H2,(H,16,17,18)/b15-9+.
What are the key properties of N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide has a molecular weight of 249.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide is sourced from PubChem (CID 143008001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).