N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide

C12H20N4 — CID 143008022

IUPACN'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide
SMILES[H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N/C
InChIInChI=1S/C12H20N4/c1-10(8-13)12(15-9-14-2)16-11-6-4-3-5-7-11/h8-9,11,13H,1,3-7H2,2H3,(H,14,15,16)/b13-8+
InChIKeyOAWYLEYTNUHDJL-MDWZMJQESA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds4

About N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide

N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide (PubChem CID 143008022) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide
PubChem CID143008022
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide
SMILES[H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N/C
InChIInChI=1S/C12H20N4/c1-10(8-13)12(15-9-14-2)16-11-6-4-3-5-7-11/h8-9,11,13H,1,3-7H2,2H3,(H,14,15,16)/b13-8+
InChIKeyOAWYLEYTNUHDJL-MDWZMJQESA-N
XLogP2.17
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-2-prop-1-en-2-yl-1,4,5,6-tetrahydropyrimidine
CID 22756056
N-cyclohexyl-N',3-dimethyl-2-methylidenebut-3-enimidamide
CID 88596857
N-tert-butyl-N'-cyclohexyl-2-methylprop-2-enimidamide
CID 434030
N-(2-aminoethyliminomethyl)-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
CID 143008001
N-[(Z)-aminomethyliminomethyl]-N'-cyclohexyl-2-methanimidoylprop-2-enimidamide
CID 143008160
N'-cyclohexyl-2-[(Z)-(methylhydrazinylidene)methyl]-N-(methyliminomethyl)prop-2-enimidamide
CID 143008171

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide?
The IUPAC name of N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide (CID 143008022) is N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide.
What is the SMILES notation for N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide?
The canonical SMILES for N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide is [H]/N=C/C(=C)/C(=N\C1CCCCC1)N/C=N/C.
What is the InChIKey of N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide?
The InChIKey is OAWYLEYTNUHDJL-MDWZMJQESA-N. The full InChI is InChI=1S/C12H20N4/c1-10(8-13)12(15-9-14-2)16-11-6-4-3-5-7-11/h8-9,11,13H,1,3-7H2,2H3,(H,14,15,16)/b13-8+.
What are the key properties of N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide?
N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide has a molecular weight of 220.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-methanimidoyl-N-(methyliminomethyl)prop-2-enimidamide is sourced from PubChem (CID 143008022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).