4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide

C28H38N2 — CID 163272018

IUPAC4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC2CCCC(CCc3ccc(C4CCCC4)cc3)C2)cc1
InChIInChI=1S/C28H38N2/c29-28(30)27-18-14-22(15-19-27)9-11-24-5-3-4-23(20-24)10-8-21-12-16-26(17-13-21)25-6-1-2-7-25/h12-19,23-25H,1-11,20H2,(H3,29,30)
InChIKeyXUUFXTFYZPXQGS-UHFFFAOYSA-N
MW402.63 g/mol
LogP7.00
Rot. Bonds8

About 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide

4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide (PubChem CID 163272018) has the molecular formula C28H38N2 and a molecular weight of 402.63 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
PubChem CID163272018
Molecular FormulaC28H38N2
Molecular Weight402.63 g/mol
Exact Mass402.30
IUPAC Name4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCC2CCCC(CCc3ccc(C4CCCC4)cc3)C2)cc1
InChIInChI=1S/C28H38N2/c29-28(30)27-18-14-22(15-19-27)9-11-24-5-3-4-23(20-24)10-8-21-12-16-26(17-13-21)25-6-1-2-7-25/h12-19,23-25H,1-11,20H2,(H3,29,30)
InChIKeyXUUFXTFYZPXQGS-UHFFFAOYSA-N
XLogP7.00
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 57.00
H-Bond Donors ≤ 52
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

2-[2-[(1S,3R)-3-[2-(2-carbamimidoylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide
CID 175997207
4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol
CID 19863175
4-[[cycloheptyl(methyl)amino]methyl]benzenecarboximidamide
CID 43614126
cis-(1R,3S)-N-[(2S)-5-(4-carbamimidoylphenyl)-3-oxopentan-2-yl]-3-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 159292459
4-(cyclohexylsulfanylmethyl)benzenecarboximidamide
CID 60884513
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
N-[(4-carbamimidoylphenyl)methyl]-4-(4-cyclohexylphenyl)sulfonylcyclohexane-1-carboxamide
CID 130387627
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
4-[4-(4-pentylcyclohexyl)butyl]benzenecarboximidamide
CID 18965918
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
[4-[2-[3-[2-(4-methylphenyl)ethyl]cyclohexyl]ethyl]phenyl]methanimine
CID 163272023

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide?
The IUPAC name of 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide (CID 163272018) is 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide?
The canonical SMILES for 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCC2CCCC(CCc3ccc(C4CCCC4)cc3)C2)cc1.
What is the InChIKey of 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide?
The InChIKey is XUUFXTFYZPXQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2/c29-28(30)27-18-14-22(15-19-27)9-11-24-5-3-4-23(20-24)10-8-21-12-16-26(17-13-21)25-6-1-2-7-25/h12-19,23-25H,1-11,20H2,(H3,29,30).
What are the key properties of 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide?
4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide has a molecular weight of 402.63 g/mol, XLogP of 7.00, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-cyclopentylphenyl)ethyl]cyclohexyl]ethyl]benzenecarboximidamide is sourced from PubChem (CID 163272018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).