N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide

C15H22N2O — CID 63178568

IUPACN'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide
SMILESCC(C)Oc1ccc(/N=C(\N)C2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)18-14-9-7-13(8-10-14)17-15(16)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H2,16,17)
InChIKeyHANAXECKJJLNPM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.65
Rot. Bonds4

About N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide

N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide (PubChem CID 63178568) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide
PubChem CID63178568
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide
SMILESCC(C)Oc1ccc(/N=C(\N)C2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)18-14-9-7-13(8-10-14)17-15(16)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H2,16,17)
InChIKeyHANAXECKJJLNPM-UHFFFAOYSA-N
XLogP3.65
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(4-propan-2-yloxyphenyl)carbamimidoyl]urea
CID 136937293
N'-(4-phenoxyphenyl)cyclopropanecarboximidamide
CID 63174147
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430
N'-(4-tert-butylphenyl)cyclopropanecarboximidamide
CID 63173984
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
CID 63178907
1-(aminodiazenyl)-4-propan-2-yloxybenzene
CID 129114930
1-nitroso-4-propan-2-yloxybenzene
CID 102138194
2-(cyclohexylamino)-2-(4-propan-2-yloxyphenyl)acetamide
CID 60997329
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
dimethyl 2-(4-propan-2-yloxyphenyl)iminobutanedioate
CID 91290433
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
N'-naphthalen-2-ylcyclopropanecarboximidamide
CID 63176582

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide?
The IUPAC name of N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide (CID 63178568) is N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide.
What is the SMILES notation for N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide?
The canonical SMILES for N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide is CC(C)Oc1ccc(/N=C(\N)C2CCCC2)cc1.
What is the InChIKey of N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide?
The InChIKey is HANAXECKJJLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)18-14-9-7-13(8-10-14)17-15(16)12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide?
N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide has a molecular weight of 246.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide is sourced from PubChem (CID 63178568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).