N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline

C25H30N2 — CID 23015554

IUPACN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N/N=C/c2ccccc2C2=C(C(C)(C)C)C=CC2)c(C)c1
InChIInChI=1S/C25H30N2/c1-17-14-18(2)24(19(3)15-17)27-26-16-20-10-7-8-11-21(20)22-12-9-13-23(22)25(4,5)6/h7-11,13-16,27H,12H2,1-6H3/b26-16+
InChIKeyYXQGTLDSWCPYBP-WGOQTCKBSA-N
MW358.53 g/mol
LogP6.82
Rot. Bonds4

About N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline

N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (PubChem CID 23015554) has the molecular formula C25H30N2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
PubChem CID23015554
Molecular FormulaC25H30N2
Molecular Weight358.53 g/mol
Exact Mass358.24
IUPAC NameN-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N/N=C/c2ccccc2C2=C(C(C)(C)C)C=CC2)c(C)c1
InChIInChI=1S/C25H30N2/c1-17-14-18(2)24(19(3)15-17)27-26-16-20-10-7-8-11-21(20)22-12-9-13-23(22)25(4,5)6/h7-11,13-16,27H,12H2,1-6H3/b26-16+
InChIKeyYXQGTLDSWCPYBP-WGOQTCKBSA-N
XLogP6.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.82
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-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 23015524
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016141
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 23015761
N-[[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 68552200
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015876
N-[(E)-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
CID 23015688
N-methoxy-1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 173092310
3-(2-tert-butylcyclopenta-1,3-dien-1-yl)-2-(2,6-dimethylphenyl)pyridine
CID 141294405
N-[[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]aniline
CID 68544601
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
N-[(E)-[2-(2,4-dimethylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]naphthalen-2-amine
CID 23016126
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The IUPAC name of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (CID 23015554) is N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is Cc1cc(C)c(N/N=C/c2ccccc2C2=C(C(C)(C)C)C=CC2)c(C)c1.
What is the InChIKey of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The InChIKey is YXQGTLDSWCPYBP-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H30N2/c1-17-14-18(2)24(19(3)15-17)27-26-16-20-10-7-8-11-21(20)22-12-9-13-23(22)25(4,5)6/h7-11,13-16,27H,12H2,1-6H3/b26-16+.
What are the key properties of N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline has a molecular weight of 358.53 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-tert-butylcyclopenta-1,3-dien-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is sourced from PubChem (CID 23015554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).