ethane;4-phenylbenzenecarboximidamide

C23H42N2 — CID 91221015

IUPACethane;4-phenylbenzenecarboximidamide
SMILESCC.CC.CC.CC.CC.[H]/N=C(\N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12N2.5C2H6/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;5*1-2/h1-9H,(H3,14,15);5*1-2H3
InChIKeyRIAYUOGRFLLPBG-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.77
Rot. Bonds2

About ethane;4-phenylbenzenecarboximidamide

ethane;4-phenylbenzenecarboximidamide (PubChem CID 91221015) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is ethane;4-phenylbenzenecarboximidamide.

Molecular Properties

Compound Nameethane;4-phenylbenzenecarboximidamide
PubChem CID91221015
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Nameethane;4-phenylbenzenecarboximidamide
SMILESCC.CC.CC.CC.CC.[H]/N=C(\N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H12N2.5C2H6/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;5*1-2/h1-9H,(H3,14,15);5*1-2H3
InChIKeyRIAYUOGRFLLPBG-UHFFFAOYSA-N
XLogP7.77
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.77
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

benzenecarboximidamide;toluene
CID 158219006
benzenecarboximidamide;sulfane
CID 172701796
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292
ethane;1-(2-hydroxyphenyl)ethanone;methane;bis(4-phenylbenzenecarboximidamide);propane
CID 160774903
benzenecarboximidamide;hydron;chloride
CID 66824376
4-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 142223741
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821

Frequently Asked Questions

What is the IUPAC name of ethane;4-phenylbenzenecarboximidamide?
The IUPAC name of ethane;4-phenylbenzenecarboximidamide (CID 91221015) is ethane;4-phenylbenzenecarboximidamide.
What is the SMILES notation for ethane;4-phenylbenzenecarboximidamide?
The canonical SMILES for ethane;4-phenylbenzenecarboximidamide is CC.CC.CC.CC.CC.[H]/N=C(\N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;4-phenylbenzenecarboximidamide?
The InChIKey is RIAYUOGRFLLPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.5C2H6/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;5*1-2/h1-9H,(H3,14,15);5*1-2H3.
What are the key properties of ethane;4-phenylbenzenecarboximidamide?
ethane;4-phenylbenzenecarboximidamide has a molecular weight of 346.60 g/mol, XLogP of 7.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenylbenzenecarboximidamide is sourced from PubChem (CID 91221015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).