N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline

C26H32N2 — CID 141067556

IUPACN-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
SMILESCC1=CC=CC1CC(=NNc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C26H32N2/c1-18(2)23-15-10-16-24(19(3)4)26(23)28-27-25(21-12-7-6-8-13-21)17-22-14-9-11-20(22)5/h6-16,18-19,22,28H,17H2,1-5H3
InChIKeyKMXNFYOJZVMVBR-UHFFFAOYSA-N
MW372.56 g/mol
LogP7.27
Rot. Bonds7

About N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline

N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline (PubChem CID 141067556) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
PubChem CID141067556
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC NameN-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
SMILESCC1=CC=CC1CC(=NNc1c(C(C)C)cccc1C(C)C)c1ccccc1
InChIInChI=1S/C26H32N2/c1-18(2)23-15-10-16-24(19(3)4)26(23)28-27-25(21-12-7-6-8-13-21)17-22-14-9-11-20(22)5/h6-16,18-19,22,28H,17H2,1-5H3
InChIKeyKMXNFYOJZVMVBR-UHFFFAOYSA-N
XLogP7.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(9H-fluoren-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline
CID 87557447
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzoate
CID 2105140
N-benzhydryl-2,6-di(propan-2-yl)aniline
CID 100979408
N-[[2,6-di(propan-2-yl)anilino]-di(propan-2-yl)silyl]-2,6-di(propan-2-yl)aniline
CID 139132579
N-[2,6-di(propan-2-yl)phenyl]-N'-(2-pyridin-2-ylethyl)benzenecarboximidamide
CID 139174144
N-[1-[3-benzyl-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-3H-pyridin-6-ylidene]ethyl]-2,6-di(propan-2-yl)aniline
CID 177438658
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
(1S,2R,3S,4S)-3-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 51014204
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline (CID 141067556) is N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline is CC1=CC=CC1CC(=NNc1c(C(C)C)cccc1C(C)C)c1ccccc1.
What is the InChIKey of N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
The InChIKey is KMXNFYOJZVMVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-18(2)23-15-10-16-24(19(3)4)26(23)28-27-25(21-12-7-6-8-13-21)17-22-14-9-11-20(22)5/h6-16,18-19,22,28H,17H2,1-5H3.
What are the key properties of N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline?
N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline has a molecular weight of 372.56 g/mol, XLogP of 7.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 141067556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).