2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine

C21H22N4 — CID 171986729

IUPAC2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine
SMILESC/C(CC(c1ccccc1)c1cccc2ccccc12)=N/N=C(N)N
InChIInChI=1S/C21H22N4/c1-15(24-25-21(22)23)14-20(17-8-3-2-4-9-17)19-13-7-11-16-10-5-6-12-18(16)19/h2-13,20H,14H2,1H3,(H4,22,23,25)/b24-15-
InChIKeyFJCRGQRNJSJEFD-IWIPYMOSSA-N
MW330.44 g/mol
LogP4.01
Rot. Bonds5

About 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine

2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine (PubChem CID 171986729) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine
PubChem CID171986729
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine
SMILESC/C(CC(c1ccccc1)c1cccc2ccccc12)=N/N=C(N)N
InChIInChI=1S/C21H22N4/c1-15(24-25-21(22)23)14-20(17-8-3-2-4-9-17)19-13-7-11-16-10-5-6-12-18(16)19/h2-13,20H,14H2,1H3,(H4,22,23,25)/b24-15-
InChIKeyFJCRGQRNJSJEFD-IWIPYMOSSA-N
XLogP4.01
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
N-[(3R)-3-naphthalen-1-yl-3-phenylpropyl]acetamide
CID 171616627
2-(2-naphthalen-1-ylpropyl)guanidine
CID 5000934
1-(3-methylsulfanyl-1-phenylpropyl)naphthalene
CID 91090782
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-3-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 102066780
1-(diaminomethylidene)-2-(1-naphthalen-1-ylethyl)guanidine;hydrochloride
CID 175013889
2-naphthalen-1-yl-3-phenylpropanamide
CID 141457606
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine?
The IUPAC name of 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine (CID 171986729) is 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine?
The canonical SMILES for 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine is C/C(CC(c1ccccc1)c1cccc2ccccc12)=N/N=C(N)N.
What is the InChIKey of 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine?
The InChIKey is FJCRGQRNJSJEFD-IWIPYMOSSA-N. The full InChI is InChI=1S/C21H22N4/c1-15(24-25-21(22)23)14-20(17-8-3-2-4-9-17)19-13-7-11-16-10-5-6-12-18(16)19/h2-13,20H,14H2,1H3,(H4,22,23,25)/b24-15-.
What are the key properties of 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine?
2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine has a molecular weight of 330.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-naphthalen-1-yl-4-phenylbutan-2-ylidene)amino]guanidine is sourced from PubChem (CID 171986729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).