N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide

C17H28N4 — CID 139093644

IUPACN,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide
SMILESCc1nccn1/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H28N4/c1-14-18-12-13-21(14)17(19-15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h12-13,15-16H,2-11H2,1H3,(H,19,20)
InChIKeyIOOXPIRMWSPULZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.65
Rot. Bonds2

About N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide

N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide (PubChem CID 139093644) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide
PubChem CID139093644
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide
SMILESCc1nccn1/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H28N4/c1-14-18-12-13-21(14)17(19-15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h12-13,15-16H,2-11H2,1H3,(H,19,20)
InChIKeyIOOXPIRMWSPULZ-UHFFFAOYSA-N
XLogP3.65
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide?
The IUPAC name of N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide (CID 139093644) is N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide.
What is the SMILES notation for N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide?
The canonical SMILES for N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide is Cc1nccn1/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide?
The InChIKey is IOOXPIRMWSPULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14-18-12-13-21(14)17(19-15-8-4-2-5-9-15)20-16-10-6-3-7-11-16/h12-13,15-16H,2-11H2,1H3,(H,19,20).
What are the key properties of N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide?
N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide has a molecular weight of 288.44 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyl-2-methylimidazole-1-carboximidamide is sourced from PubChem (CID 139093644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).