4-(4-pentylphenyl)benzenecarboximidamide

C18H22N2 — CID 610740

IUPAC4-(4-pentylphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C18H22N2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H3,19,20)
InChIKeyKMGGODARDYCEME-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.37
Rot. Bonds6

About 4-(4-pentylphenyl)benzenecarboximidamide

4-(4-pentylphenyl)benzenecarboximidamide (PubChem CID 610740) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-(4-pentylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4-pentylphenyl)benzenecarboximidamide
PubChem CID610740
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-(4-pentylphenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C18H22N2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H3,19,20)
InChIKeyKMGGODARDYCEME-UHFFFAOYSA-N
XLogP4.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(4-pentylphenyl)benzenecarboximidamide?
The IUPAC name of 4-(4-pentylphenyl)benzenecarboximidamide (CID 610740) is 4-(4-pentylphenyl)benzenecarboximidamide.
What is the SMILES notation for 4-(4-pentylphenyl)benzenecarboximidamide?
The canonical SMILES for 4-(4-pentylphenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(CCCCC)cc2)cc1.
What is the InChIKey of 4-(4-pentylphenyl)benzenecarboximidamide?
The InChIKey is KMGGODARDYCEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13H,2-5H2,1H3,(H3,19,20).
What are the key properties of 4-(4-pentylphenyl)benzenecarboximidamide?
4-(4-pentylphenyl)benzenecarboximidamide has a molecular weight of 266.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylphenyl)benzenecarboximidamide is sourced from PubChem (CID 610740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).