4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

C22H28N2 — CID 21400951

IUPAC4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=C2CCCC2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H28N2/c1-23(2)20-13-9-18(10-14-20)22(17-7-5-6-8-17)19-11-15-21(16-12-19)24(3)4/h9-16H,5-8H2,1-4H3
InChIKeyQDKCBHZMXMEYRO-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.19
Rot. Bonds4

About 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (PubChem CID 21400951) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
PubChem CID21400951
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(=C2CCCC2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H28N2/c1-23(2)20-13-9-18(10-14-20)22(17-7-5-6-8-17)19-11-15-21(16-12-19)24(3)4/h9-16H,5-8H2,1-4H3
InChIKeyQDKCBHZMXMEYRO-UHFFFAOYSA-N
XLogP5.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
4-[[4-[(chloroamino)methylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 175090302
[4-[bis[4-(dimethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 3468
4-(1-cyclopropylethenyl)-N,N-dimethylaniline
CID 168864381
[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanethione
CID 2140180
bis((Z)-1-[4-(dimethylamino)phenyl]-2-phenylethene-1,2-dithiol);nickel
CID 155859224
CID 69397190
CID 69397190
4-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 172971736
[amino-[4-(dimethylamino)phenyl]methylidene]azanium
CID 6346842
CID 102282703
CID 102282703
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
CID 19868016

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline (CID 21400951) is 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(=C2CCCC2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
The InChIKey is QDKCBHZMXMEYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-23(2)20-13-9-18(10-14-20)22(17-7-5-6-8-17)19-11-15-21(16-12-19)24(3)4/h9-16H,5-8H2,1-4H3.
What are the key properties of 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline?
4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline has a molecular weight of 320.48 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylidene-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 21400951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).