N'-(2,6-diethylphenyl)cyclohexanecarboximidamide

C17H26N2 — CID 63174092

IUPACN'-(2,6-diethylphenyl)cyclohexanecarboximidamide
SMILESCCc1cccc(CC)c1/N=C(\N)C1CCCCC1
InChIInChI=1S/C17H26N2/c1-3-13-11-8-12-14(4-2)16(13)19-17(18)15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10H2,1-2H3,(H2,18,19)
InChIKeyXVQMLGFHVRWMCA-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.38
Rot. Bonds4

About N'-(2,6-diethylphenyl)cyclohexanecarboximidamide

N'-(2,6-diethylphenyl)cyclohexanecarboximidamide (PubChem CID 63174092) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)cyclohexanecarboximidamide
PubChem CID63174092
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN'-(2,6-diethylphenyl)cyclohexanecarboximidamide
SMILESCCc1cccc(CC)c1/N=C(\N)C1CCCCC1
InChIInChI=1S/C17H26N2/c1-3-13-11-8-12-14(4-2)16(13)19-17(18)15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10H2,1-2H3,(H2,18,19)
InChIKeyXVQMLGFHVRWMCA-UHFFFAOYSA-N
XLogP4.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(2,6-diethylphenyl)cyclohexanecarboximidamide (CID 63174092) is N'-(2,6-diethylphenyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(2,6-diethylphenyl)cyclohexanecarboximidamide is CCc1cccc(CC)c1/N=C(\N)C1CCCCC1.
What is the InChIKey of N'-(2,6-diethylphenyl)cyclohexanecarboximidamide?
The InChIKey is XVQMLGFHVRWMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-13-11-8-12-14(4-2)16(13)19-17(18)15-9-6-5-7-10-15/h8,11-12,15H,3-7,9-10H2,1-2H3,(H2,18,19).
What are the key properties of N'-(2,6-diethylphenyl)cyclohexanecarboximidamide?
N'-(2,6-diethylphenyl)cyclohexanecarboximidamide has a molecular weight of 258.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)cyclohexanecarboximidamide is sourced from PubChem (CID 63174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).