N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide

C12H21N5 — CID 143008160

IUPACN-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
SMILES[H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N\CN
InChIInChI=1S/C12H21N5/c1-10(7-13)12(16-9-15-8-14)17-11-5-3-2-4-6-11/h7,9,11,13H,1-6,8,14H2,(H,15,16,17)/b13-7+
InChIKeyLWMGRSBOVNEJEV-NTUHNPAUSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds5

About N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide

N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide (PubChem CID 143008160) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide.

Molecular Properties

Compound NameN-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
PubChem CID143008160
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
SMILES[H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N\CN
InChIInChI=1S/C12H21N5/c1-10(7-13)12(16-9-15-8-14)17-11-5-3-2-4-6-11/h7,9,11,13H,1-6,8,14H2,(H,15,16,17)/b13-7+
InChIKeyLWMGRSBOVNEJEV-NTUHNPAUSA-N
XLogP1.46
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
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-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
The IUPAC name of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide (CID 143008160) is N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide.
What is the SMILES notation for N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
The canonical SMILES for N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide is [H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N\CN.
What is the InChIKey of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
The InChIKey is LWMGRSBOVNEJEV-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H21N5/c1-10(7-13)12(16-9-15-8-14)17-11-5-3-2-4-6-11/h7,9,11,13H,1-6,8,14H2,(H,15,16,17)/b13-7+.
What are the key properties of N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide?
N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide is sourced from PubChem (CID 143008160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).