N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide

C18H28N2 — CID 15804073

IUPACN,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide
SMILESC1=CC(/C(=N\C2CCCCC2)NC2CCCCC2)C=C1
InChIInChI=1S/C18H28N2/c1-3-11-16(12-4-1)19-18(15-9-7-8-10-15)20-17-13-5-2-6-14-17/h7-10,15-17H,1-6,11-14H2,(H,19,20)
InChIKeyMGAULZWKPJAEDT-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.38
Rot. Bonds3

About N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide

N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide (PubChem CID 15804073) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide
PubChem CID15804073
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide
SMILESC1=CC(/C(=N\C2CCCCC2)NC2CCCCC2)C=C1
InChIInChI=1S/C18H28N2/c1-3-11-16(12-4-1)19-18(15-9-7-8-10-15)20-17-13-5-2-6-14-17/h7-10,15-17H,1-6,11-14H2,(H,19,20)
InChIKeyMGAULZWKPJAEDT-UHFFFAOYSA-N
XLogP4.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N,N'-dicyclohexylaziridine-1-carboximidamide
CID 566641
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
1-[(N,N'-dicyclohexylcarbamimidoyl)amino]ethylidene-dimethylazanium
CID 159536560
propan-2-yl N,N'-dicyclohexylcarbamimidate
CID 10945389
1-cycloheptyl-2-cyclopentyl-3-(4-hydroxyphenyl)guanidine
CID 134121747
2,3-dicyclohexyl-1,1-bis(trimethylsilyl)guanidine
CID 15398506
aziridin-2-yl N,N'-dicyclohexylcarbamimidate
CID 170575324
2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 89442983
1,2-dicyclohexyl-3-pyridin-1-ium-1-ylguanidine iodide
CID 154879292
N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide
CID 139093644
1,2-dicyclohexyl-3-[6-[(N,N'-dicyclohexylcarbamimidoyl)amino]-2-pyridinyl]guanidine
CID 102321701

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide (CID 15804073) is N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide is C1=CC(/C(=N\C2CCCCC2)NC2CCCCC2)C=C1.
What is the InChIKey of N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide?
The InChIKey is MGAULZWKPJAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-3-11-16(12-4-1)19-18(15-9-7-8-10-15)20-17-13-5-2-6-14-17/h7-10,15-17H,1-6,11-14H2,(H,19,20).
What are the key properties of N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide?
N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide has a molecular weight of 272.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylcyclopenta-2,4-diene-1-carboximidamide is sourced from PubChem (CID 15804073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).