N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide

C18H22N2 — CID 162405802

IUPACN'-(3-methyl-2-phenylbutyl)benzenecarboximidamide
SMILESCC(C)C(C/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(2)17(15-9-5-3-6-10-15)13-20-18(19)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,19,20)
InChIKeyPKMVUOFOPMBLDC-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.83
Rot. Bonds5

About N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide

N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide (PubChem CID 162405802) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3-methyl-2-phenylbutyl)benzenecarboximidamide
PubChem CID162405802
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN'-(3-methyl-2-phenylbutyl)benzenecarboximidamide
SMILESCC(C)C(C/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2/c1-14(2)17(15-9-5-3-6-10-15)13-20-18(19)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,19,20)
InChIKeyPKMVUOFOPMBLDC-UHFFFAOYSA-N
XLogP3.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.83
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'-(3-methyl-2-phenylbutyl)benzenecarboximidamide?
The IUPAC name of N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide (CID 162405802) is N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide?
The canonical SMILES for N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide is CC(C)C(C/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide?
The InChIKey is PKMVUOFOPMBLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-14(2)17(15-9-5-3-6-10-15)13-20-18(19)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H2,19,20).
What are the key properties of N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide?
N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide has a molecular weight of 266.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-phenylbutyl)benzenecarboximidamide is sourced from PubChem (CID 162405802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).