2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine

C18H34N8 — CID 91510579

IUPAC2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine
SMILESC/N=C(\N)N/N=C1\CCCC(C)C1.[H]/N=C/C(N)=N/N=C1\CCCC(C)C1
InChIInChI=1S/C9H18N4.C9H16N4/c1-7-4-3-5-8(6-7)12-13-9(10)11-2;1-7-3-2-4-8(5-7)12-13-9(11)6-10/h7H,3-6H2,1-2H3,(H3,10,11,13);6-7,10H,2-5H2,1H3,(H2,11,13)/b12-8+;10-6+,12-8+
InChIKeyGCHQMJWFEULHFN-BFEYXDKPSA-N
MW362.53 g/mol
LogP2.65
Rot. Bonds3

About 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine

2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine (PubChem CID 91510579) has the molecular formula C18H34N8 and a molecular weight of 362.53 g/mol. Its IUPAC name is 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine.

Molecular Properties

Compound Name2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine
PubChem CID91510579
Molecular FormulaC18H34N8
Molecular Weight362.53 g/mol
Exact Mass362.29
IUPAC Name2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine
SMILESC/N=C(\N)N/N=C1\CCCC(C)C1.[H]/N=C/C(N)=N/N=C1\CCCC(C)C1
InChIInChI=1S/C9H18N4.C9H16N4/c1-7-4-3-5-8(6-7)12-13-9(10)11-2;1-7-3-2-4-8(5-7)12-13-9(11)6-10/h7H,3-6H2,1-2H3,(H3,10,11,13);6-7,10H,2-5H2,1H3,(H2,11,13)/b12-8+;10-6+,12-8+
InChIKeyGCHQMJWFEULHFN-BFEYXDKPSA-N
XLogP2.65
TPSA137.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.53
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine?
The IUPAC name of 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine (CID 91510579) is 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine.
What is the SMILES notation for 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine?
The canonical SMILES for 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine is C/N=C(\N)N/N=C1\CCCC(C)C1.[H]/N=C/C(N)=N/N=C1\CCCC(C)C1.
What is the InChIKey of 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine?
The InChIKey is GCHQMJWFEULHFN-BFEYXDKPSA-N. The full InChI is InChI=1S/C9H18N4.C9H16N4/c1-7-4-3-5-8(6-7)12-13-9(10)11-2;1-7-3-2-4-8(5-7)12-13-9(11)6-10/h7H,3-6H2,1-2H3,(H3,10,11,13);6-7,10H,2-5H2,1H3,(H2,11,13)/b12-8+;10-6+,12-8+.
What are the key properties of 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine?
2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine has a molecular weight of 362.53 g/mol, XLogP of 2.65, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N'-[(E)-(3-methylcyclohexylidene)amino]ethanimidamide;2-methyl-1-[(E)-(3-methylcyclohexylidene)amino]guanidine is sourced from PubChem (CID 91510579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).