N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine

C27H28N2 — CID 141067257

IUPACN-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine
SMILESCC(C)(C)C1=CC=CC1CC(=NNc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C27H28N2/c1-27(2,3)25-15-9-14-23(25)19-26(21-11-5-4-6-12-21)29-28-24-17-16-20-10-7-8-13-22(20)18-24/h4-18,23,28H,19H2,1-3H3
InChIKeyMBMHJLCOUCYLFN-UHFFFAOYSA-N
MW380.54 g/mol
LogP7.20
Rot. Bonds5

About N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine

N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine (PubChem CID 141067257) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine
PubChem CID141067257
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC NameN-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine
SMILESCC(C)(C)C1=CC=CC1CC(=NNc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C27H28N2/c1-27(2,3)25-15-9-14-23(25)19-26(21-11-5-4-6-12-21)29-28-24-17-16-20-10-7-8-13-22(20)18-24/h4-18,23,28H,19H2,1-3H3
InChIKeyMBMHJLCOUCYLFN-UHFFFAOYSA-N
XLogP7.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 57.20
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine?
The IUPAC name of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine (CID 141067257) is N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine.
What is the SMILES notation for N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine?
The canonical SMILES for N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine is CC(C)(C)C1=CC=CC1CC(=NNc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine?
The InChIKey is MBMHJLCOUCYLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2/c1-27(2,3)25-15-9-14-23(25)19-26(21-11-5-4-6-12-21)29-28-24-17-16-20-10-7-8-13-22(20)18-24/h4-18,23,28H,19H2,1-3H3.
What are the key properties of N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine?
N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine has a molecular weight of 380.54 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-tert-butylcyclopenta-2,4-dien-1-yl)-1-phenylethylidene]amino]naphthalen-2-amine is sourced from PubChem (CID 141067257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).