(5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine

C21H20N2 — CID 145380913

IUPAC(5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine
SMILES[H]/N=C1\C=C(c2ccccc2)C(C)(C)\C1=C(\N=C)c1ccccc1
InChIInChI=1S/C21H20N2/c1-21(2)17(15-10-6-4-7-11-15)14-18(22)19(21)20(23-3)16-12-8-5-9-13-16/h4-14,22H,3H2,1-2H3/b20-19+,22-18+
InChIKeyNGHNYDFOZMIOGC-LWEJJHOBSA-N
MW300.41 g/mol
LogP5.24
Rot. Bonds3

About (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine

(5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine (PubChem CID 145380913) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine.

Molecular Properties

Compound Name(5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine
PubChem CID145380913
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name(5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine
SMILES[H]/N=C1\C=C(c2ccccc2)C(C)(C)\C1=C(\N=C)c1ccccc1
InChIInChI=1S/C21H20N2/c1-21(2)17(15-10-6-4-7-11-15)14-18(22)19(21)20(23-3)16-12-8-5-9-13-16/h4-14,22H,3H2,1-2H3/b20-19+,22-18+
InChIKeyNGHNYDFOZMIOGC-LWEJJHOBSA-N
XLogP5.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-diphenylphenyl)cyclohexa-3,5-diene-1,2-diimine
CID 145117232
N'-methanimidoyl-N-methylidenebenzenecarboximidamide
CID 145447927
2-phenylcyclohexa-2,5-diene-1,4-diimine
CID 54180214
2-methyl-1-phenylbutan-1-imine
CID 12072867
(Z)-N'-methylidene-2-phenylprop-2-ene-1,3-diimine
CID 144911563
N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide
CID 140591566
[3,3-dimethyl-5-(methylideneamino)cyclopenta-1,4-dien-1-yl]-(3,5-diphenylphenyl)methanimine
CID 144816247
diphenylmethanimine;ethane
CID 145102767
ethylphosphanyl(phenyl)methanimine
CID 71405606
10-(cyclopenta-2,4-dien-1-ylmethyl)-2'-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-10',10'-dimethyl-7'-phenylspiro[acridine-9,9'-anthracene]
CID 138633412
(2Z)-3-phenylpenta-2,4-dien-1-ol
CID 121216692
imino(1-phenylethenylimino)azanium
CID 6333477

Frequently Asked Questions

What is the IUPAC name of (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine?
The IUPAC name of (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine (CID 145380913) is (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine.
What is the SMILES notation for (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine?
The canonical SMILES for (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine is [H]/N=C1\C=C(c2ccccc2)C(C)(C)\C1=C(\N=C)c1ccccc1.
What is the InChIKey of (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine?
The InChIKey is NGHNYDFOZMIOGC-LWEJJHOBSA-N. The full InChI is InChI=1S/C21H20N2/c1-21(2)17(15-10-6-4-7-11-15)14-18(22)19(21)20(23-3)16-12-8-5-9-13-16/h4-14,22H,3H2,1-2H3/b20-19+,22-18+.
What are the key properties of (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine?
(5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine has a molecular weight of 300.41 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4,4-dimethyl-5-[(methylideneamino)-phenylmethylidene]-3-phenylcyclopent-2-en-1-imine is sourced from PubChem (CID 145380913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).